 Entering Gaussian System, Link 0=g16
 Input=15_2carene_STD_B3LYPDBJ-def2SVPDr.in
 Output=15_2carene_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/15_2carene_STD/Gau-19943.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/15_2carene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     19946.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=15_2carene_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "15_2carene_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.539270000000     -0.435125000000     -0.935630000000
  C                                                 0.816364000000      0.968322000000     -0.450280000000
  C                                                -0.765594000000     -1.028594000000     -0.572480000000
  C                                                -1.800993000000     -0.297742000000     -0.156432000000
  C                                                -3.135413000000     -0.895562000000      0.168823000000
  C                                                -1.676641000000      1.202692000000     -0.021029000000
  C                                                -0.263208000000      1.653051000000      0.372514000000
  C                                                 1.636339000000     -0.186823000000      0.085468000000
  H                                                 0.893695000000     -0.691598000000     -1.929272000000
  H                                                 1.339746000000      1.614886000000     -1.144387000000
  H                                                -0.874831000000     -2.104823000000     -0.671160000000
  H                                                -3.148517000000     -1.971949000000     -0.004947000000
  H                                                -3.924099000000     -0.440411000000     -0.439321000000
  H                                                -3.404545000000     -0.711394000000      1.213967000000
  H                                                -2.397776000000      1.565713000000      0.716548000000
  H                                                -1.964396000000      1.665977000000     -0.972847000000
  H                                                -0.118055000000      1.450646000000      1.435502000000
  H                                                -0.177183000000      2.735203000000      0.256669000000
  C                                                 1.458496000000     -0.656559000000      1.508984000000
  C                                                 3.060086000000     -0.290467000000     -0.413000000000
  H                                                 0.412233000000     -0.690309000000      1.806635000000
  H                                                 1.991804000000     -0.002624000000      2.204759000000
  H                                                 1.865028000000     -1.664540000000      1.625325000000
  H                                                 3.146950000000      0.056753000000     -1.444121000000
  H                                                 3.414003000000     -1.324549000000     -0.376315000000
  H                                                 3.733703000000      0.313863000000      0.201341000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.510632   0.000000
     3  C    1.478768   2.550529   0.000000
     4  C    2.470396   2.922297   1.333901   0.000000
     5  C    3.864597   4.412923   2.486618   1.497951   0.000000
     6  C    2.903309   2.540523   2.472396   1.511655   2.562563
     7  C    2.591465   1.520302   2.887321   2.539717   3.845319
     8  C    1.519163   1.514511   2.628832   3.447618   4.824819
     9  H    1.085689   2.224575   2.169721   3.249527   4.547232
    10  H    2.210630   1.083401   3.427466   3.807682   5.296595
    11  H    2.203978   3.514705   1.086250   2.094818   2.697798
    12  H    4.102167   4.956188   2.624945   2.154469   1.090402
    13  H    4.490881   4.945365   3.215563   2.146616   1.095001
    14  H    4.500085   4.838103   3.202510   2.149530   1.094841
    15  H    3.919092   3.471176   3.325062   2.142594   2.627163
    16  H    3.268694   2.914177   2.976262   2.132938   3.039107
    17  H    3.100077   2.159155   3.255446   2.902309   4.026614
    18  H    3.462060   2.146807   3.898703   3.464992   4.684154
    19  C    2.621097   2.625126   3.068791   3.677857   4.791362
    20  C    2.578484   2.572980   3.899499   4.867851   6.252109
    21  H    2.757041   2.829849   2.676173   2.984311   3.912844
    22  H    3.486969   3.061638   4.045852   4.477458   5.588446
    23  H    3.134898   3.512804   3.486394   4.299128   5.264707
    24  H    2.701944   2.692640   4.152799   5.125032   6.555652
    25  H    3.060719   3.465611   4.194651   5.319668   6.586050
    26  H    3.472476   3.060032   4.758641   5.579868   6.974849
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.534761   0.000000
     8  C    3.594152   2.660040   0.000000
     9  H    3.719725   3.483392   2.205787   0.000000
    10  H    3.245062   2.207240   2.201514   2.476868   0.000000
    11  H    3.464856   3.947779   3.249182   2.589930   4.354828
    12  H    3.499289   4.648452   5.107807   4.656372   5.857321
    13  H    2.815284   4.294622   5.590902   5.049177   5.694684
    14  H    2.859124   4.020776   5.192225   5.324961   5.786338
    15  H    1.093545   2.163878   4.443392   4.788486   4.175472
    16  H    1.096993   2.168918   4.185474   3.826433   3.308986
    17  H    2.147593   1.091779   2.753506   4.115161   2.967825
    18  H    2.161962   1.091730   3.443313   4.203342   2.349285
    19  C    3.953080   3.096793   1.509529   3.484513   3.494845
    20  C    4.981942   3.929196   1.512041   2.674554   2.669245
    21  H    3.359643   2.829180   2.171255   3.766803   3.857815
    22  H    4.456950   3.344168   2.156775   4.332521   3.776016
    23  H    4.845092   4.135860   2.146417   3.811202   4.324565
    24  H    5.158042   4.180611   2.163543   2.423336   2.404913
    25  H    5.694544   4.790483   2.160498   3.027252   3.678689
    26  H    5.487375   4.218770   2.159409   3.690001   3.038861
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.373003   0.000000
    13  H    3.481674   1.770824   0.000000
    14  H    3.448884   1.772089   1.754061   0.000000
    15  H    4.209267   3.687712   2.773126   2.538942   0.000000
    16  H    3.936636   3.946325   2.926082   3.536676   1.746976
    17  H    4.201440   4.792990   4.645108   3.940116   2.393170
    18  H    4.977292   5.572661   4.960676   4.817812   2.551515
    19  C    3.506410   5.024620   5.728433   4.872290   4.520761
    20  C    4.340749   6.445203   6.985844   6.679495   5.874482
    21  H    3.129992   4.195637   4.889841   3.862576   3.764847
    22  H    4.572499   5.931605   6.494669   5.532143   4.893145
    23  H    3.602016   5.280901   6.266997   5.370857   5.425118
    24  H    4.630832   6.769029   7.159367   7.111791   6.139172
    25  H    4.369194   6.604825   7.391442   7.028339   6.582153
    26  H    5.277299   7.254822   7.721484   7.282249   6.279140
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.042283   0.000000
    18  H    2.418488   1.744486   0.000000
    19  C    4.823883   2.632722   3.968348   0.000000
    20  C    5.420934   4.068048   4.481411   2.528465   0.000000
    21  H    4.350399   2.236657   3.805777   1.088302   3.478186
    22  H    5.341622   2.674931   3.999407   1.093687   2.841961
    23  H    5.701520   3.697707   5.039998   1.093082   2.733315
    24  H    5.379364   4.571151   4.595285   3.475704   1.091475
    25  H    6.182740   4.843534   5.457002   2.797243   1.093585
    26  H    5.972877   4.201365   4.600106   2.797895   1.093796
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768179   0.000000
    23  H    1.758583   1.764591   0.000000
    24  H    4.313258   3.827821   3.745353   0.000000
    25  H    3.765389   3.229873   2.553719   1.766217   0.000000
    26  H    3.823283   2.673586   3.071442   1.765766   1.766434
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.85D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.539270   -0.435125   -0.935630
      2          6           0        0.816364    0.968322   -0.450280
      3          6           0       -0.765594   -1.028594   -0.572480
      4          6           0       -1.800993   -0.297742   -0.156432
      5          6           0       -3.135413   -0.895562    0.168823
      6          6           0       -1.676641    1.202692   -0.021029
      7          6           0       -0.263208    1.653051    0.372514
      8          6           0        1.636339   -0.186823    0.085468
      9          1           0        0.893695   -0.691598   -1.929272
     10          1           0        1.339746    1.614886   -1.144387
     11          1           0       -0.874831   -2.104823   -0.671160
     12          1           0       -3.148517   -1.971949   -0.004947
     13          1           0       -3.924099   -0.440411   -0.439321
     14          1           0       -3.404545   -0.711394    1.213967
     15          1           0       -2.397776    1.565713    0.716548
     16          1           0       -1.964396    1.665977   -0.972847
     17          1           0       -0.118055    1.450646    1.435502
     18          1           0       -0.177183    2.735203    0.256669
     19          6           0        1.458496   -0.656559    1.508984
     20          6           0        3.060086   -0.290467   -0.413000
     21          1           0        0.412233   -0.690309    1.806635
     22          1           0        1.991804   -0.002624    2.204759
     23          1           0        1.865028   -1.664540    1.625325
     24          1           0        3.146950    0.056753   -1.444121
     25          1           0        3.414003   -1.324549   -0.376315
     26          1           0        3.733703    0.313863    0.201341
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.5463935           0.9251117           0.8426951
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     19     20
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   348 symmetry adapted cartesian basis functions of A   symmetry.
 There are   328 symmetry adapted basis functions of A   symmetry.
   328 basis functions,   480 primitive gaussians,   348 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       548.8339666672 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0453366970 Hartrees.
 Nuclear repulsion after empirical dispersion term =      548.7886299702 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               8.5 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   328 RedAO= T EigKep=  1.50D-05  NBF=   328
 NBsUse=   328 1.00D-06 EigRej= -1.00D+00 NBFU=   328
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   348   348   348   348   348 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "15_2carene_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               8.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636896046 LenY=  5636774501
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.451148015763    
 DIIS: error= 2.33D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.451148015763     IErMin= 1 ErrMin= 2.33D-03
 ErrMax= 2.33D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-03 BMatP= 6.29D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.33D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.238 Goal=   None    Shift=    0.000
 GapD=    0.238 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.42D-02 MaxDP=7.15D-01              OVMax= 1.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.21D-02    CP:  1.37D+00
 E= -390.456583026677     Delta-E=       -0.005435010914 Rises=F Damp=F
 DIIS: error= 2.34D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.456583026677     IErMin= 2 ErrMin= 2.34D-04
 ErrMax= 2.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.08D-05 BMatP= 6.29D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.34D-03
 Coeff-Com: -0.423D-02 0.100D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.422D-02 0.100D+01
 Gap=     0.237 Goal=   None    Shift=    0.000
 RMSDP=6.31D-04 MaxDP=3.19D-02 DE=-5.44D-03 OVMax= 2.70D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.99D-04    CP:  1.38D+00  1.04D+00
 E= -390.456574919680     Delta-E=        0.000008106997 Rises=F Damp=F
 DIIS: error= 3.20D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -390.456583026677     IErMin= 2 ErrMin= 2.34D-04
 ErrMax= 3.20D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.99D-05 BMatP= 5.08D-05
 IDIUse=3 WtCom= 3.59D-01 WtEn= 6.41D-01
 Coeff-Com: -0.105D-01 0.550D+00 0.461D+00
 Coeff-En:   0.000D+00 0.530D+00 0.470D+00
 Coeff:     -0.375D-02 0.537D+00 0.466D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.02D-04 MaxDP=4.61D-03 DE= 8.11D-06 OVMax= 1.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.51D-05    CP:  1.38D+00  1.04D+00  7.45D-01
 E= -390.456650415694     Delta-E=       -0.000075496014 Rises=F Damp=F
 DIIS: error= 3.92D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.456650415694     IErMin= 4 ErrMin= 3.92D-05
 ErrMax= 3.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-06 BMatP= 5.08D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.347D-02 0.981D-01 0.144D+00 0.761D+00
 Coeff:     -0.347D-02 0.981D-01 0.144D+00 0.761D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=3.34D-05 MaxDP=1.95D-03 DE=-7.55D-05 OVMax= 2.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.73D-05    CP:  1.38D+00  1.04D+00  7.58D-01  7.95D-01
 E= -390.456651274417     Delta-E=       -0.000000858723 Rises=F Damp=F
 DIIS: error= 1.29D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.456651274417     IErMin= 5 ErrMin= 1.29D-05
 ErrMax= 1.29D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-07 BMatP= 1.12D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.999D-03 0.808D-02 0.364D-01 0.395D+00 0.561D+00
 Coeff:     -0.999D-03 0.808D-02 0.364D-01 0.395D+00 0.561D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=5.95D-06 MaxDP=2.69D-04 DE=-8.59D-07 OVMax= 1.23D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.58D-06    CP:  1.38D+00  1.04D+00  7.61D-01  8.37D-01  7.85D-01
 E= -390.456651535924     Delta-E=       -0.000000261508 Rises=F Damp=F
 DIIS: error= 2.31D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.456651535924     IErMin= 6 ErrMin= 2.31D-06
 ErrMax= 2.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-08 BMatP= 2.76D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.310D-03-0.534D-03 0.959D-02 0.144D+00 0.260D+00 0.587D+00
 Coeff:     -0.310D-03-0.534D-03 0.959D-02 0.144D+00 0.260D+00 0.587D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.60D-06 MaxDP=6.80D-05 DE=-2.62D-07 OVMax= 5.05D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.08D-06    CP:  1.38D+00  1.04D+00  7.62D-01  8.45D-01  7.58D-01
                    CP:  8.10D-01
 E= -390.456651544025     Delta-E=       -0.000000008101 Rises=F Damp=F
 DIIS: error= 1.31D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.456651544025     IErMin= 7 ErrMin= 1.31D-06
 ErrMax= 1.31D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-09 BMatP= 1.00D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.873D-04-0.104D-02 0.191D-02 0.461D-01 0.101D+00 0.349D+00
 Coeff-Com:  0.503D+00
 Coeff:     -0.873D-04-0.104D-02 0.191D-02 0.461D-01 0.101D+00 0.349D+00
 Coeff:      0.503D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=4.28D-07 MaxDP=1.97D-05 DE=-8.10D-09 OVMax= 2.51D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.27D-07    CP:  1.38D+00  1.04D+00  7.62D-01  8.45D-01  7.60D-01
                    CP:  8.29D-01  7.62D-01
 E= -390.456651545893     Delta-E=       -0.000000001868 Rises=F Damp=F
 DIIS: error= 3.57D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.456651545893     IErMin= 8 ErrMin= 3.57D-07
 ErrMax= 3.57D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.78D-10 BMatP= 1.96D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.166D-05-0.468D-03-0.440D-03 0.350D-02 0.167D-01 0.997D-01
 Coeff-Com:  0.276D+00 0.605D+00
 Coeff:     -0.166D-05-0.468D-03-0.440D-03 0.350D-02 0.167D-01 0.997D-01
 Coeff:      0.276D+00 0.605D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=1.57D-07 MaxDP=5.13D-06 DE=-1.87D-09 OVMax= 6.34D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.06D-07    CP:  1.38D+00  1.04D+00  7.62D-01  8.45D-01  7.63D-01
                    CP:  8.36D-01  7.53D-01  7.02D-01
 E= -390.456651546074     Delta-E=       -0.000000000181 Rises=F Damp=F
 DIIS: error= 1.04D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -390.456651546074     IErMin= 9 ErrMin= 1.04D-07
 ErrMax= 1.04D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.74D-12 BMatP= 1.78D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-05-0.190D-03-0.296D-03-0.142D-03 0.414D-02 0.338D-01
 Coeff-Com:  0.116D+00 0.305D+00 0.542D+00
 Coeff:      0.273D-05-0.190D-03-0.296D-03-0.142D-03 0.414D-02 0.338D-01
 Coeff:      0.116D+00 0.305D+00 0.542D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=4.68D-08 MaxDP=1.72D-06 DE=-1.81D-10 OVMax= 1.07D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.60D-08    CP:  1.38D+00  1.04D+00  7.62D-01  8.45D-01  7.64D-01
                    CP:  8.33D-01  7.60D-01  7.05D-01  6.86D-01
 E= -390.456651546083     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 1.61D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -390.456651546083     IErMin=10 ErrMin= 1.61D-08
 ErrMax= 1.61D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.08D-13 BMatP= 8.74D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.137D-05-0.484D-04-0.997D-04-0.358D-03 0.527D-03 0.733D-02
 Coeff-Com:  0.314D-01 0.903D-01 0.240D+00 0.630D+00
 Coeff:      0.137D-05-0.484D-04-0.997D-04-0.358D-03 0.527D-03 0.733D-02
 Coeff:      0.314D-01 0.903D-01 0.240D+00 0.630D+00
 Gap=     0.236 Goal=   None    Shift=    0.000
 RMSDP=8.78D-09 MaxDP=3.09D-07 DE=-8.98D-12 OVMax= 1.70D-07

 SCF Done:  E(RB3LYP) =  -390.456651546     A.U. after   10 cycles
            NFock= 10  Conv=0.88D-08     -V/T= 2.0125
 KE= 3.856328444613D+02 PE=-1.998540185302D+03 EE= 6.736620593241D+02
 Leave Link  502 at Fri Jul 16 13:12:49 2021, MaxMem=  5637144576 cpu:            1277.5 elap:             160.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   328
 NBasis=   328 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    328 NOA=    38 NOB=    38 NVA=   290 NVB=   290

 **** Warning!!: The largest alpha MO coefficient is  0.47319633D+02

 Leave Link  801 at Fri Jul 16 13:12:50 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7861 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.84D-13 8.33D-09 XBig12= 1.00D+00 5.08D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.84D-13 8.33D-09 XBig12= 2.30D-01 9.90D-02.
     11 vectors produced by pass  2 Test12= 1.84D-13 8.33D-09 XBig12= 4.78D-02 5.95D-02.
     11 vectors produced by pass  3 Test12= 1.84D-13 8.33D-09 XBig12= 2.66D-03 9.21D-03.
     11 vectors produced by pass  4 Test12= 1.84D-13 8.33D-09 XBig12= 1.67D-04 2.85D-03.
     11 vectors produced by pass  5 Test12= 1.84D-13 8.33D-09 XBig12= 6.04D-06 3.41D-04.
     11 vectors produced by pass  6 Test12= 1.84D-13 8.33D-09 XBig12= 1.10D-07 4.60D-05.
     11 vectors produced by pass  7 Test12= 1.84D-13 8.33D-09 XBig12= 1.45D-09 5.94D-06.
     11 vectors produced by pass  8 Test12= 1.84D-13 8.33D-09 XBig12= 2.18D-11 6.35D-07.
      8 vectors produced by pass  9 Test12= 1.84D-13 8.33D-09 XBig12= 1.55D-13 7.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.146858D+03
      2 -0.518418D+01  0.111723D+03
      3 -0.291806D+01  0.131279D+01  0.100137D+03
 Isotropic polarizability for W=    0.085645      119.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.413512D+02 -0.125910D+02  0.943959D+01
      2   0.519835D+01  0.108832D+02 -0.194011D+02
      3   0.361529D+02  0.170781D+01  0.996155D+01
      4  -0.361803D+02 -0.214142D+02 -0.866918D+01
      5   0.177400D+02 -0.113357D+02  0.317362D+02
      6   0.407476D+01 -0.301445D+01 -0.803181D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.524150D+01  0.734591D+00  0.158717D+01
      2   0.284567D+02 -0.545599D+01  0.867028D+01
      3  -0.205403D+02  0.103772D+02  0.833995D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.266657D+01  0.163867D+02  0.973963D+01
      2  -0.830046D+01 -0.127439D+02 -0.441664D+01
      3  -0.235892D+02  0.266126D+02  0.154105D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.775339D+00 -0.628705D+01  0.300709D+01
      2  -0.628705D+01 -0.163676D+01 -0.198738D+01
      3   0.300709D+01 -0.198738D+01 -0.149612D+01
 OR G Eigenvalues:    -6.8661    -2.9057     7.4142  Iso=     0.7858
 Eigenvectors:
   (1)   0.653214   0.752108  -0.087440
   (2)  -0.229944   0.307073   0.923489
   (3)   0.721414  -0.583130   0.373527
 w=    0.085645 a.u., Optical Rotation Beta=      0.7858 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 5320.0 A) =      273.57 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   53956 ScalPx= 3.34D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.06D-14 2.78D-09 XBig12= 1.00D+00 3.94D-01.
     30 vectors produced by pass  1 Test12= 3.06D-14 2.78D-09 XBig12= 7.39D-02 3.05D-02.
     30 vectors produced by pass  2 Test12= 3.06D-14 2.78D-09 XBig12= 1.64D-03 4.24D-03.
     30 vectors produced by pass  3 Test12= 3.06D-14 2.78D-09 XBig12= 3.29D-05 4.98D-04.
     30 vectors produced by pass  4 Test12= 3.06D-14 2.78D-09 XBig12= 1.77D-07 4.19D-05.
     30 vectors produced by pass  5 Test12= 3.06D-14 2.78D-09 XBig12= 5.33D-10 2.21D-06.
     30 vectors produced by pass  6 Test12= 3.06D-14 2.78D-09 XBig12= 1.17D-12 1.26D-07.
      7 vectors produced by pass  7 Test12= 3.06D-14 2.78D-09 XBig12= 2.40D-15 4.59D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   217 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   53956 ScalPx= 1.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   53956 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146858D+03 -0.518418D+01 -0.291806D+01
      2  -0.518418D+01  0.111723D+03  0.131279D+01
      3  -0.291806D+01  0.131279D+01  0.100137D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.524150D+01  0.734591D+00  0.158717D+01
      2   0.284567D+02 -0.545599D+01  0.867028D+01
      3  -0.205403D+02  0.103772D+02  0.833995D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.413512D+02 -0.125910D+02  0.943959D+01
      2   0.519835D+01  0.108832D+02 -0.194011D+02
      3   0.361529D+02  0.170781D+01  0.996155D+01
      4  -0.361803D+02 -0.214142D+02 -0.866918D+01
      5   0.177400D+02 -0.113357D+02  0.317362D+02
      6   0.407476D+01 -0.301445D+01 -0.803181D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.256496D+02 -0.970269D+00 -0.131634D+01 -0.316007D+01 -0.177223D+01
      2  -0.970269D+00  0.246604D+00 -0.277513D+00 -0.177223D+01 -0.611704D+01
      3  -0.131634D+01 -0.277513D+00 -0.421460D+01  0.535769D+00 -0.129644D+01
                 6             7             8             9            10 
      1   0.535769D+00 -0.608422D+01 -0.232550D+01 -0.587785D+01 -0.334725D+01
      2  -0.129644D+01 -0.232550D+01  0.480929D+00  0.138111D+01  0.237954D+01
      3   0.860635D+00 -0.587785D+01  0.138111D+01  0.308641D+01 -0.823254D-01
                11            12            13            14            15 
      1   0.237954D+01 -0.823254D-01 -0.318670D+00 -0.237515D+01  0.671342D+00
      2  -0.137531D+01  0.284612D+01 -0.237515D+01  0.586633D+01  0.155366D+01
      3   0.284612D+01 -0.189342D+01  0.671342D+00  0.155366D+01  0.221370D+00
                16            17            18            19            20 
      1  -0.119716D+01  0.447225D+01 -0.113826D+01  0.291962D+02 -0.382239D+01
      2   0.447225D+01  0.236346D+01  0.173712D+00 -0.382239D+01  0.473079D+01
      3  -0.113826D+01  0.173712D+00  0.144497D+01 -0.240285D+01 -0.245445D+00
                21            22            23            24            25 
      1  -0.240285D+01 -0.675213D+01  0.485482D+01  0.752043D+00 -0.721461D+01
      2  -0.245445D+00  0.485482D+01  0.410876D+01  0.405016D+00 -0.206408D+00
      3   0.209984D+01  0.752043D+00  0.405016D+00 -0.237499D+01  0.421709D+01
                26            27            28            29            30 
      1  -0.206408D+00  0.421709D+01 -0.244675D+02  0.458079D+01  0.288908D+01
      2  -0.744882D+00 -0.301411D+01  0.458079D+01 -0.370519D+01 -0.705930D+00
      3  -0.301411D+01 -0.416570D+01  0.288908D+01 -0.705930D+00 -0.339449D+01
                31            32            33            34            35 
      1   0.106899D+02 -0.648392D+01 -0.554299D+00  0.803194D+01 -0.127743D+01
      2  -0.648392D+01  0.141799D+01 -0.803813D-01 -0.127743D+01  0.103659D+01
      3  -0.554299D+00 -0.803813D-01  0.207880D+01 -0.486305D+01  0.981032D+00
                36            37            38            39            40 
      1  -0.486305D+01  0.136068D+02 -0.280727D+01 -0.636686D-01 -0.346034D+01
      2   0.981032D+00 -0.280727D+01 -0.173337D+00 -0.515089D+00  0.164010D+01
      3   0.242139D+01 -0.636686D-01 -0.515089D+00  0.285847D+01 -0.501763D+00
                41            42            43            44            45 
      1   0.164010D+01 -0.501763D+00 -0.578281D+00 -0.276463D+00  0.677799D+01
      2   0.656761D+01  0.136284D+01 -0.276463D+00  0.169524D+01 -0.124682D+01
      3   0.136284D+01 -0.150476D+01  0.677799D+01 -0.124682D+01 -0.514534D+01
                46            47            48            49            50 
      1  -0.697893D+00 -0.361182D+01 -0.208024D+01 -0.545793D+01  0.511915D+01
      2  -0.361182D+01  0.201772D+01  0.114202D+00  0.511915D+01 -0.129577D+01
      3  -0.208024D+01  0.114202D+00  0.266610D+01 -0.387837D+00  0.855952D+00
                51            52            53            54            55 
      1  -0.387837D+00 -0.234195D+01 -0.918015D+00  0.479839D+01  0.241832D+01
      2   0.855952D+00 -0.918015D+00  0.258016D+01 -0.372525D+01  0.139335D+01
      3  -0.248444D+01  0.479839D+01 -0.372525D+01  0.204850D+01  0.106162D+01
                56            57            58            59            60 
      1   0.139335D+01  0.106162D+01  0.169749D+01 -0.921053D+00 -0.155404D+00
      2  -0.223109D+00  0.174809D+00 -0.921053D+00 -0.811326D+01 -0.151955D+00
      3   0.174809D+00 -0.947572D+00 -0.155404D+00 -0.151955D+00  0.127137D+01
                61            62            63            64            65 
      1   0.165906D+01  0.350237D+00 -0.106987D+01  0.156294D+02 -0.119694D+01
      2   0.350237D+00  0.462107D+00  0.432138D+00 -0.119694D+01  0.207325D+01
      3  -0.106987D+01  0.432138D+00 -0.528503D+01  0.451082D+01 -0.716235D+00
                66            67            68            69            70 
      1   0.451082D+01  0.237580D+01  0.611095D+01  0.768614D+00  0.136450D+02
      2  -0.716235D+00  0.611095D+01 -0.428759D+01  0.119960D+01 -0.141071D+00
      3   0.317477D+01  0.768614D+00  0.119960D+01  0.866784D+00  0.470590D+01
                71            72            73            74            75 
      1  -0.141071D+00  0.470590D+01  0.469356D+01 -0.104340D+01 -0.201840D+01
      2   0.359489D+00  0.959084D+00 -0.104340D+01  0.353010D+00  0.508174D+00
      3   0.959084D+00 -0.104615D+01 -0.201840D+01  0.508174D+00  0.243926D+01
                76            77            78            79            80 
      1  -0.307572D+01  0.270507D+00  0.270771D+00 -0.239346D+01  0.602087D+00
      2   0.270507D+00 -0.719531D+00 -0.146975D+01  0.602087D+00 -0.179974D+01
      3   0.270771D+00 -0.146975D+01 -0.220369D+01  0.323166D+01 -0.263231D+01
                81            82            83            84            85 
      1   0.323166D+01  0.295381D+01  0.150255D+01 -0.126130D+01  0.100072D+01
      2  -0.263231D+01  0.150255D+01  0.179277D+01 -0.149957D+01  0.147030D+01
      3  -0.847052D+01 -0.126130D+01 -0.149957D+01  0.177097D+01 -0.132789D+01
                86            87            88            89            90 
      1   0.147030D+01 -0.132789D+01 -0.199600D+01 -0.182623D+01  0.152344D+01
      2   0.419804D+01 -0.235083D+01 -0.182623D+01 -0.266949D+01  0.218468D+01
      3  -0.235083D+01  0.201798D+01  0.152344D+01  0.218468D+01 -0.290633D+01
                91            92            93            94            95 
      1   0.206768D+00 -0.151978D+01 -0.656556D+00 -0.176896D+01 -0.140606D+01
      2  -0.151978D+01 -0.104069D+01  0.115886D+00 -0.140606D+01 -0.105813D+02
      3  -0.656556D+00  0.115886D+00  0.218391D+00 -0.677563D-02 -0.178033D+01
                96            97            98            99           100 
      1  -0.677563D-02 -0.225292D+01  0.276364D+00 -0.706552D+00 -0.579799D+00
      2  -0.178033D+01  0.276364D+00 -0.702450D+00 -0.570643D+00 -0.709228D+00
      3  -0.110484D+01 -0.706552D+00 -0.570643D+00 -0.579361D-01 -0.374698D+00
               101           102           103           104           105 
      1  -0.709228D+00 -0.374698D+00 -0.273600D+01 -0.332553D+01 -0.914657D-01
      2  -0.379126D+00 -0.484737D-01 -0.332553D+01 -0.848366D+01 -0.502882D+00
      3  -0.484737D-01 -0.214951D+00 -0.914657D-01 -0.502882D+00 -0.101826D+01
               106           107           108           109           110 
      1  -0.890320D+00 -0.420496D+00 -0.807041D+00 -0.118797D+02  0.132682D+01
      2  -0.420496D+00 -0.105196D+01 -0.918029D+00  0.132682D+01 -0.105996D+01
      3  -0.807041D+00 -0.918029D+00  0.123038D-01 -0.224235D+01  0.614436D+00
               111           112           113           114           115 
      1  -0.224235D+01  0.525809D+01 -0.160421D+01  0.663895D+00 -0.530842D+01
      2   0.614436D+00 -0.160421D+01  0.754421D+00 -0.892089D+00  0.586735D+00
      3  -0.172786D+01  0.663895D+00 -0.892089D+00  0.987108D+00 -0.334135D+01
               116           117           118           119           120 
      1   0.586735D+00 -0.334135D+01 -0.518165D+01  0.127049D+00  0.212188D+01
      2  -0.115211D+01  0.744562D+00  0.127049D+00 -0.149551D+00  0.681248D-01
      3   0.744562D+00 -0.127514D+01  0.212188D+01  0.681248D-01 -0.195243D+01
               121           122           123           124           125 
      1   0.246481D+01 -0.879056D+00 -0.669663D+00  0.621079D+01  0.676120D+00
      2  -0.879056D+00 -0.233733D+00  0.884991D+00  0.676120D+00  0.103717D+01
      3  -0.669663D+00  0.884991D+00  0.975272D+00 -0.541281D+01  0.305178D+00
               126           127           128           129           130 
      1  -0.541281D+01 -0.551009D+01  0.265309D+01  0.259498D+01  0.246244D+01
      2   0.305178D+00  0.265309D+01 -0.233148D+01 -0.108572D+01 -0.216577D+01
      3   0.749991D+01  0.259498D+01 -0.108572D+01 -0.179404D+01 -0.902544D+00
               131           132           133           134           135 
      1  -0.216577D+01 -0.902544D+00  0.404413D+01 -0.146497D+01 -0.304133D+01
      2   0.194782D+01  0.118721D+01 -0.146497D+01  0.168298D+01  0.220554D+01
      3   0.118721D+01  0.124904D+01 -0.304133D+01  0.220554D+01  0.260360D+01
               136           137           138           139           140 
      1  -0.236773D+01  0.217346D+01 -0.113969D+01  0.205851D+01 -0.233004D+01
      2   0.217346D+01 -0.178051D+01  0.723271D+00 -0.233004D+01  0.394072D+01
      3  -0.113969D+01  0.723271D+00 -0.125769D+01  0.107358D+01 -0.217394D+01
               141           142           143           144           145 
      1   0.107358D+01 -0.277680D+01  0.232108D+01 -0.319108D+01 -0.219283D-01
      2  -0.217394D+01  0.232108D+01 -0.463282D+01  0.330266D+01 -0.180300D+00
      3   0.185163D+01 -0.319108D+01  0.330266D+01 -0.476820D+01  0.670547D+00
               146           147           148           149           150 
      1  -0.180300D+00  0.670547D+00 -0.731612D+00  0.474348D+00 -0.210526D+00
      2   0.225668D+00  0.690605D-02  0.474348D+00  0.418699D+00  0.942936D+00
      3   0.690605D-02  0.534801D+00 -0.210526D+00  0.942936D+00 -0.621014D+00
               151           152           153           154           155 
      1   0.154042D+01 -0.423372D+00  0.635890D+00  0.304304D+00  0.122391D+01
      2  -0.423372D+00  0.150279D+01  0.108977D+01  0.122391D+01  0.576750D+00
      3   0.635890D+00  0.108977D+01  0.710539D+01 -0.114837D+00  0.830858D-01
               156           157           158           159           160 
      1  -0.114837D+00  0.113565D+01  0.406796D+00  0.663341D-01 -0.531681D+00
      2   0.830858D-01  0.406796D+00  0.125891D+02  0.526705D+00  0.613789D-01
      3   0.192353D+00  0.663341D-01  0.526705D+00  0.815769D+00  0.133767D+00
               161           162           163           164           165 
      1   0.613789D-01  0.133767D+00  0.411313D+01  0.338311D+00 -0.330049D+01
      2  -0.101082D+01  0.118107D+01  0.338311D+00 -0.327399D+01 -0.550475D+00
      3   0.118107D+01  0.353707D+00 -0.330049D+01 -0.550475D+00 -0.184912D+01
               166           167           168           169           170 
      1  -0.168542D+00 -0.484426D+01 -0.857088D+00 -0.431806D+01 -0.655725D+00
      2  -0.484426D+01  0.566628D+01 -0.339010D+01 -0.655725D+00 -0.180195D+01
      3  -0.857088D+00 -0.339010D+01 -0.323237D+01 -0.281655D+01 -0.263466D+01
               171           172           173           174           175 
      1  -0.281655D+01 -0.389428D+01 -0.658562D+00 -0.354102D+01 -0.144799D+01
      2  -0.263466D+01 -0.658562D+00 -0.368523D+01 -0.961963D+00 -0.634638D+01
      3  -0.527515D+00 -0.354102D+01 -0.961963D+00 -0.119727D+01 -0.146569D+01
               176           177           178           179           180 
      1  -0.634638D+01 -0.146569D+01 -0.432888D+01 -0.143753D+01 -0.261151D+01
      2   0.523705D+01 -0.173399D+00 -0.143753D+01 -0.600344D+00 -0.289755D+01
      3  -0.173399D+00 -0.291835D+01 -0.261151D+01 -0.289755D+01  0.493857D+01
               181           182           183           184           185 
      1  -0.602927D+01 -0.281936D+00  0.118281D+01 -0.425312D+00 -0.159911D+00
      2  -0.281936D+00 -0.741828D+00  0.669283D+00 -0.159911D+00 -0.716901D+00
      3   0.118281D+01  0.669283D+00 -0.259032D+01  0.290367D+00  0.699660D+00
               186           187           188           189           190 
      1   0.290367D+00  0.895353D+00  0.351416D+00 -0.131055D+01  0.292025D+01
      2   0.699660D+00  0.351416D+00  0.550128D+00  0.753537D-01  0.785086D+00
      3   0.112619D+00 -0.131055D+01  0.753537D-01  0.143369D+01  0.284647D+01
               191           192           193           194           195 
      1   0.785086D+00  0.284647D+01  0.207563D+01  0.170471D+01  0.191444D+01
      2   0.129225D+01  0.636044D+00  0.170471D+01  0.130166D+01  0.196527D+01
      3   0.636044D+00  0.316369D+01  0.191444D+01  0.196527D+01  0.376961D+01
               196           197           198           199           200 
      1   0.198656D+01  0.825742D+00  0.297995D+01  0.174074D+01 -0.194484D+01
      2   0.825742D+00  0.128558D+01  0.164278D+01 -0.194484D+01  0.242911D+01
      3   0.297995D+01  0.164278D+01  0.557679D+01  0.133030D+01 -0.824094D+00
               201           202           203           204           205 
      1   0.133030D+01 -0.243759D+01  0.342022D+01 -0.113503D+01  0.427460D+00
      2  -0.824094D+00  0.342022D+01 -0.795138D+01  0.303444D+01 -0.256756D+00
      3   0.135580D+01 -0.113503D+01  0.303444D+01 -0.208426D+01  0.903621D+00
               206           207           208           209           210 
      1  -0.256756D+00  0.903621D+00  0.453658D+00  0.511525D+00 -0.903254D+00
      2   0.943382D+00 -0.102417D+01  0.511525D+00  0.411401D+00 -0.545674D-01
      3  -0.102417D+01  0.941986D+00 -0.903254D+00 -0.545674D-01  0.839789D+00
               211           212           213           214           215 
      1   0.122368D+01  0.108383D+01 -0.534188D+00 -0.278983D+01 -0.231305D+00
      2   0.108383D+01  0.377936D+00 -0.111536D+01 -0.231305D+00 -0.123071D+01
      3  -0.534188D+00 -0.111536D+01  0.195520D+01  0.279584D+01  0.153072D+01
               216           217           218           219           220 
      1   0.279584D+01  0.361698D+01 -0.224896D+01  0.165706D+00 -0.537093D+01
      2   0.153072D+01 -0.224896D+01  0.220365D+01  0.164812D+00  0.501493D+01
      3  -0.715436D+01  0.165706D+00  0.164812D+00  0.345881D+00  0.615317D+00
               221           222           223           224           225 
      1   0.501493D+01  0.615317D+00  0.101743D+01  0.817181D-01  0.107193D+01
      2  -0.741363D+01 -0.229972D+00  0.817181D-01  0.135456D+00 -0.689830D+00
      3  -0.229972D+00 -0.985360D+00  0.107193D+01 -0.689830D+00 -0.356789D+00
               226           227           228           229           230 
      1   0.777276D+01  0.200019D+01  0.212381D+01  0.486911D+01  0.304292D+01
      2   0.200019D+01  0.156632D+01  0.759917D+00  0.304292D+01  0.152146D+01
      3   0.212381D+01  0.759917D+00  0.137362D+01  0.117769D+01  0.989168D+00
               231           232           233           234 
      1   0.117769D+01  0.554444D+01  0.125615D+01  0.241234D+01
      2   0.989168D+00  0.125615D+01  0.128182D+01  0.116398D+01
      3   0.149916D+01  0.241234D+01  0.116398D+01  0.169180D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.372840D+01 -0.104351D+01 -0.234214D+01 -0.172142D+01  0.719740D+01
      2  -0.353560D+02 -0.140202D+00 -0.379264D+01 -0.325346D+01 -0.413312D+01
      3   0.352100D+02 -0.512276D+01  0.162204D+01  0.185539D+02  0.924720D+01
                 6             7             8             9            10 
      1   0.518150D+00  0.106142D+01  0.396874D+01  0.233461D+01  0.207759D+01
      2  -0.804348D-01 -0.236431D+02 -0.211516D+01 -0.541217D+01 -0.375704D+01
      3   0.297337D+01  0.130768D+02 -0.124622D+01  0.618683D+01 -0.782562D+01
                11            12            13            14            15 
      1  -0.282461D+01 -0.486657D+00 -0.121029D+00 -0.814737D+01 -0.454681D+01
      2   0.636300D+01  0.119282D+01 -0.116330D+01  0.137791D+01  0.141146D+01
      3  -0.232260D+01 -0.582115D+01  0.126920D+02 -0.144117D+02 -0.960789D-01
                16            17            18            19            20 
      1  -0.118105D+01  0.325708D+01 -0.255611D+01 -0.323256D+00  0.210110D+00
      2  -0.501330D+01  0.661400D+01  0.194441D+01  0.283265D+02 -0.222756D+01
      3  -0.134943D+02  0.610494D+00 -0.296023D+01 -0.506261D+02  0.128066D+02
                21            22            23            24            25 
      1   0.414423D+01  0.258038D+01 -0.423239D+01 -0.304819D+01  0.993533D+01
      2  -0.426357D+01 -0.842379D+01  0.471881D+01  0.267993D+01 -0.268238D+02
      3   0.281084D+01  0.251284D+02 -0.722873D+01 -0.320175D+01  0.131240D+02
                26            27            28            29            30 
      1   0.826181D+00 -0.319006D+01  0.980136D+00  0.640020D+00 -0.304701D+01
      2   0.300719D+01  0.797771D+01 -0.275106D+02  0.293826D+01  0.821647D+01
      3  -0.415952D+01 -0.105631D+02  0.446202D+02 -0.174220D+02 -0.580442D+01
                31            32            33            34            35 
      1   0.150387D+01  0.966606D+00  0.110664D+01 -0.833760D+01  0.105296D+02
      2   0.123938D+02 -0.343159D+01 -0.355548D+01  0.364708D+01 -0.244885D+01
      3  -0.191427D+02  0.887773D+01 -0.160179D+01 -0.165625D+02  0.214444D+01
                36            37            38            39            40 
      1   0.371453D+01 -0.103115D+01  0.174018D+00  0.133014D+01  0.954040D+00
      2  -0.649182D+01 -0.194253D+01  0.266318D+01 -0.954197D+01  0.390226D+01
      3   0.810521D+01 -0.250528D+02  0.107550D+01 -0.153386D+01  0.142953D+02
                41            42            43            44            45 
      1   0.314485D+01 -0.285160D+01  0.614143D+01  0.705253D+00 -0.522999D+01
      2  -0.558905D+01  0.562534D+01 -0.362355D+02  0.506715D+01  0.218906D+02
      3   0.236515D+02  0.570287D+01 -0.287822D+01  0.716453D+01 -0.118742D+02
                46            47            48            49            50 
      1   0.360730D+01  0.387866D+00 -0.470706D+01  0.226677D+01 -0.218243D+01
      2   0.697679D+01 -0.200718D+01 -0.438170D+01 -0.184270D+01 -0.426875D+00
      3  -0.966877D+01 -0.616796D+01 -0.491657D+01  0.103570D+02 -0.559251D+01
                51            52            53            54            55 
      1   0.269774D+01 -0.123615D+02  0.125256D+02 -0.234809D+01 -0.192376D+01
      2   0.497936D+01 -0.153085D+02  0.857035D+01 -0.247955D+01 -0.342777D+01
      3   0.317289D+01 -0.745135D+01  0.879220D+01 -0.293748D+01  0.105474D+02
                56            57            58            59            60 
      1  -0.126227D+01  0.234244D+01  0.427700D+00 -0.755514D+01 -0.512093D+01
      2  -0.359827D+00  0.166390D+01 -0.253914D+01  0.139451D+01 -0.690855D+00
      3   0.549724D+01  0.433296D+01  0.117388D+02 -0.590231D+01  0.520732D+00
                61            62            63            64            65 
      1   0.306009D+01  0.336115D+01  0.128487D+02 -0.113686D+01  0.261831D+01
      2  -0.143649D+01 -0.126098D+01  0.310661D+01  0.304740D+02 -0.207619D+01
      3   0.423573D+01  0.193884D+00 -0.106099D+01 -0.981014D+01 -0.109026D+02
                66            67            68            69            70 
      1   0.210712D+01 -0.482607D+01  0.266929D+01 -0.424750D+01 -0.257723D+01
      2   0.125563D+02  0.705042D+01  0.433643D+01  0.358730D+01  0.115221D+02
      3  -0.331033D+00 -0.170379D+02  0.923618D+01 -0.265670D+01 -0.116224D+02
                71            72            73            74            75 
      1   0.568008D+01 -0.221222D-01 -0.190928D+01 -0.401739D+00  0.140923D+01
      2   0.451225D+01 -0.236940D+00  0.548543D+01 -0.940626D+00  0.800113D+00
      3  -0.179847D+01 -0.629273D+01 -0.464571D+01 -0.104526D+01  0.111179D+01
                76            77            78            79            80 
      1   0.421144D+00  0.598784D-02 -0.653626D+00  0.207154D+01  0.346257D+01
      2  -0.415237D+01 -0.910365D+00 -0.145664D+01 -0.282460D+01 -0.926238D+00
      3   0.789215D+01 -0.567381D+00  0.346310D+00  0.131968D+01  0.174855D+01
                81            82            83            84            85 
      1  -0.257673D+01  0.380400D+00  0.841032D-02 -0.177410D+01  0.408694D+00
      2  -0.246628D+01  0.236576D+01 -0.826154D+00  0.213568D+01 -0.573288D+00
      3  -0.100305D+01  0.107602D+01 -0.203310D+01  0.909879D-01  0.366841D+01
                86            87            88            89            90 
      1  -0.127992D+01 -0.279668D+01 -0.947508D+00  0.538169D+00  0.277714D+01
      2  -0.114344D+01  0.118909D+01 -0.203096D+01  0.901261D-01 -0.219263D+01
      3  -0.400204D+01  0.125716D+01 -0.371088D+00  0.202514D+01 -0.115083D+00
                91            92            93            94            95 
      1  -0.740617D+00  0.119963D+01 -0.390535D+00  0.118300D+01  0.635897D+01
      2   0.515141D+00 -0.134646D+01 -0.200420D+00 -0.181361D+01 -0.781525D+00
      3  -0.501605D+00 -0.185326D-02  0.988341D+00  0.445013D+01 -0.758327D+01
                96            97            98            99           100 
      1  -0.408653D+01 -0.379290D+01  0.866610D+00  0.972036D+00 -0.737470D+00
      2   0.148557D+01 -0.227960D+01  0.871748D-01 -0.899941D+00  0.136622D+01
      3  -0.108662D+01  0.607166D+01 -0.799639D+00  0.476575D+00 -0.291130D+01
               101           102           103           104           105 
      1  -0.497642D+00 -0.150472D+00 -0.586738D+00 -0.222465D+01 -0.399762D+01
      2   0.381213D+00  0.148189D+01  0.252278D+00  0.178351D+01  0.408660D+01
      3  -0.225702D+01  0.369686D+00 -0.512002D+01 -0.275770D+02 -0.201439D+01
               106           107           108           109           110 
      1  -0.123088D+00 -0.194541D+00 -0.429182D+00 -0.145926D+00  0.935276D+00
      2   0.149999D+01  0.246484D+01 -0.916702D-01  0.878507D+01 -0.218611D+01
      3  -0.267638D+00 -0.341088D+01 -0.188890D+01  0.161662D+02 -0.780158D+01
               111           112           113           114           115 
      1  -0.106001D+01  0.170501D+00 -0.908565D+00 -0.182354D+00 -0.132865D+01
      2   0.895572D+01 -0.363752D+01  0.321882D+01 -0.419059D+01  0.122777D+02
      3   0.446174D+01 -0.909916D+01  0.436717D+01 -0.385451D+01  0.691061D+01
               116           117           118           119           120 
      1   0.157441D+01 -0.743409D+00  0.227102D+01 -0.636158D+00 -0.180270D+01
      2  -0.294219D+01  0.496935D+01 -0.747634D+01 -0.674617D+00  0.823291D+01
      3  -0.596822D+01  0.571470D+01  0.680426D+01 -0.204696D+01 -0.226961D+01
               121           122           123           124           125 
      1  -0.968394D+00  0.999215D+00  0.497541D+00 -0.354015D+01  0.317661D+01
      2   0.219043D+01 -0.289069D+01 -0.390567D+01  0.193134D+02 -0.111593D+01
      3  -0.307696D+01  0.945857D-01  0.319591D+01 -0.443738D+01  0.454079D+01
               126           127           128           129           130 
      1   0.710986D+01 -0.470766D+01  0.116957D+01  0.392466D+01  0.108057D+01
      2  -0.288331D+02 -0.532356D+01  0.319815D+01  0.581257D+01  0.209361D+01
      3   0.676246D+01 -0.375476D+01 -0.456555D+01  0.150950D+01  0.792230D+00
               131           132           133           134           135 
      1  -0.153223D+01 -0.295948D+01  0.531799D+01 -0.168955D+01 -0.460514D+01
      2  -0.279059D+01 -0.341188D+01  0.451041D+01 -0.509348D+01 -0.665876D+01
      3   0.796953D+00  0.812939D+00  0.523134D+01  0.211486D+01  0.164094D+00
               136           137           138           139           140 
      1   0.179667D+01 -0.120824D+01  0.232915D+01 -0.137743D+01  0.239582D+01
      2   0.136411D+01 -0.680467D+00  0.374453D+01 -0.309986D+00  0.324471D+01
      3   0.137746D+01 -0.174365D+01  0.301004D+00 -0.978782D+00  0.749337D+01
               141           142           143           144           145 
      1  -0.461791D+01  0.638783D+01 -0.470910D+01  0.824461D+01 -0.251608D+01
      2  -0.397367D+01  0.436497D+01 -0.609717D+01  0.911468D+01 -0.487517D+00
      3  -0.312882D+01  0.906708D+00 -0.988980D+01  0.337878D+01 -0.419995D+00
               146           147           148           149           150 
      1   0.105324D+01 -0.179825D+01  0.124225D+01 -0.179775D+01  0.185651D+01
      2   0.386664D+00 -0.181156D+00  0.182965D+01 -0.162427D+01  0.904765D+00
      3  -0.272842D+01  0.172769D+01 -0.194258D+01  0.818828D+00  0.125160D+00
               151           152           153           154           155 
      1  -0.218429D+01  0.199827D+01 -0.159297D+02  0.961572D+00  0.385689D+00
      2  -0.419464D+01  0.115545D+00 -0.376543D+01  0.762661D+00 -0.608073D+00
      3   0.463743D+01 -0.737589D+00  0.118277D+01  0.683524D+00  0.145226D+01
               156           157           158           159           160 
      1  -0.544549D+00 -0.150349D+00  0.476775D+01 -0.457828D+01 -0.713296D+00
      2   0.915503D+00 -0.132360D+01 -0.914127D+00 -0.291096D+00 -0.660542D+00
      3  -0.836695D+00  0.729424D+01  0.580323D+01  0.252559D+00 -0.140023D+01
               161           162           163           164           165 
      1  -0.170196D+01 -0.333521D+00 -0.130753D+01 -0.696062D+01 -0.256969D+01
      2  -0.367176D+00 -0.615587D+00 -0.177135D+02 -0.255511D+01  0.726134D+01
      3  -0.892682D+00  0.123539D+01 -0.420313D+01  0.342930D+01  0.406759D+01
               166           167           168           169           170 
      1  -0.110667D+02  0.859719D+01 -0.124454D+02 -0.353322D+01 -0.511509D+01
      2  -0.398536D+01  0.116953D+01 -0.374328D+01 -0.728615D+00 -0.332341D+01
      3   0.111744D+02 -0.733698D+01  0.657858D+01  0.509202D+01  0.446848D+01
               171           172           173           174           175 
      1  -0.668566D+01 -0.116442D+01  0.109818D+01 -0.473344D+00  0.265081D+01
      2   0.806379D+00 -0.153077D+02 -0.370052D+01 -0.626205D+01 -0.554655D+01
      3   0.690381D+01  0.541075D+01  0.139229D+02  0.475926D+01  0.305074D+02
               176           177           178           179           180 
      1  -0.273844D+01 -0.254550D+01 -0.504479D+00  0.111481D+01  0.333380D+01
      2  -0.481789D+01 -0.117156D+02 -0.173692D+02 -0.110752D+02  0.174238D+02
      3  -0.173637D+02  0.119975D+01  0.748304D+01  0.193002D+01  0.118075D+02
               181           182           183           184           185 
      1  -0.871427D-01 -0.229041D+01 -0.146349D+01 -0.142752D+01  0.152385D+00
      2   0.202386D+02  0.101876D+01 -0.413715D+01  0.112552D+01  0.186335D+01
      3   0.700503D+01 -0.564865D+00 -0.137393D+01  0.232925D+01  0.878489D+00
               186           187           188           189           190 
      1   0.497381D-01 -0.122462D+01  0.205778D+01  0.778492D+00  0.398409D+01
      2  -0.237140D+00 -0.578481D+01 -0.499399D+00  0.411183D+01  0.851940D+00
      3  -0.726902D+00 -0.732206D+00 -0.115809D+00  0.113916D+01 -0.309445D+01
               191           192           193           194           195 
      1   0.422832D+01  0.361860D+01  0.477252D+01  0.548913D+01  0.542508D+01
      2  -0.400294D+00  0.317207D+01 -0.940375D+00  0.146509D+01  0.486217D+01
      3  -0.393993D+01 -0.325522D+01 -0.320147D+01 -0.413842D+01 -0.480778D+01
               196           197           198           199           200 
      1   0.438324D+01  0.602582D+01  0.748918D+01 -0.253673D+01  0.436699D+01
      2  -0.187332D+01  0.140997D+01  0.623153D+01 -0.361626D+00  0.126208D+01
      3  -0.198123D+01 -0.385351D+01 -0.493361D+01  0.175546D+01 -0.409511D+01
               201           202           203           204           205 
      1   0.883142D+00  0.586596D+01 -0.131282D+02  0.842022D+00  0.491764D-01
      2   0.189575D+01  0.318581D+01  0.758873D+00 -0.330391D+01 -0.536342D+00
      3   0.879502D+00 -0.117493D+01  0.118010D+02 -0.453077D+01 -0.372475D+00
               206           207           208           209           210 
      1   0.231006D+01 -0.988838D+00 -0.605252D+00 -0.382841D+00  0.381446D+00
      2  -0.736165D+00  0.528187D+00 -0.341578D+01  0.281377D-01  0.345569D+01
      3  -0.124016D+01  0.871563D+00 -0.179199D+01 -0.198807D+01  0.765543D+00
               211           212           213           214           215 
      1  -0.387584D+00 -0.113457D+01  0.260541D+00  0.817028D+00  0.389822D+01
      2  -0.434067D+00 -0.280324D+01  0.685778D+01  0.429776D+01  0.551375D+01
      3  -0.254754D+01 -0.191383D+01  0.390517D+01  0.123706D+01  0.519932D+01
               216           217           218           219           220 
      1  -0.271956D+01  0.957320D+00 -0.996659D+00  0.779886D+00 -0.118066D+01
      2  -0.236640D+02  0.219075D+01 -0.542615D+00  0.287593D+01 -0.330515D+00
      3  -0.661701D+01  0.626441D+01 -0.865734D+01 -0.727294D+00 -0.128725D+02
               221           222           223           224           225 
      1   0.334909D+01 -0.320589D+01  0.330239D+00  0.404707D+00  0.832956D-01
      2   0.190488D+01 -0.442283D+01  0.265497D+01 -0.177051D+01 -0.826725D+00
      3   0.255021D+02  0.296517D+00 -0.142471D+01 -0.467141D+00  0.161041D+01
               226           227           228           229           230 
      1   0.128624D+00  0.290757D-01 -0.640031D+00 -0.254556D+00  0.113401D+00
      2   0.109172D+02  0.368710D+01  0.846119D+01  0.624588D+01  0.502036D+01
      3  -0.100191D+02 -0.863997D+01 -0.358447D+01 -0.112464D+02 -0.754596D+01
               231           232           233           234 
      1  -0.143931D+01  0.199053D+00  0.991222D+00 -0.672341D+00
      2   0.730966D+01  0.922213D+01  0.491497D+01  0.799098D+01
      3  -0.409534D+01 -0.633028D+01 -0.635305D+01 -0.529287D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.349842D+01  0.119439D+01 -0.791737D+01  0.310230D+01 -0.330319D+01
      2   0.114841D+02 -0.295878D+01 -0.130432D+01 -0.888581D+00  0.616502D+01
      3  -0.149825D+02  0.176439D+01  0.922169D+01 -0.221372D+01 -0.286183D+01
      4   0.158556D+02  0.305695D+01 -0.273496D+01 -0.142400D+01  0.305748D-02
      5   0.194516D+01 -0.378160D+01 -0.107869D+02  0.294057D+01 -0.152541D+01
      6  -0.719170D+00 -0.104956D+01  0.162596D+01  0.123214D+00  0.752045D+01
                 6             7             8             9            10 
      1   0.582578D+01 -0.253368D+02  0.424850D+00  0.954969D+01 -0.739633D+01
      2   0.336918D+00  0.147128D+01  0.374439D+01  0.821023D+01  0.499399D+01
      3  -0.616270D+01  0.238655D+02 -0.416924D+01 -0.177599D+02  0.240234D+01
      4  -0.126844D+01 -0.661398D+01  0.436937D+01  0.756528D+01  0.506491D+01
      5   0.267550D+01 -0.163494D+02  0.490975D+01  0.129070D+02  0.188238D+00
      6  -0.173820D+01  0.848258D+01 -0.207726D+01 -0.992908D+01  0.501203D+01
                11            12            13            14            15 
      1   0.787515D+01 -0.482871D+01  0.797544D+01 -0.115752D+02 -0.226180D+01
      2   0.340834D+00  0.484458D+01 -0.309304D+01  0.125595D+02  0.411357D+01
      3  -0.821598D+01 -0.158663D-01 -0.488239D+01 -0.984319D+00 -0.185177D+01
      4  -0.540380D+01  0.835067D+01 -0.827269D+01  0.133704D+01  0.713207D+01
      5   0.802976D+01 -0.476603D+01  0.171331D+01  0.476824D+01 -0.376130D+01
      6   0.427694D+01 -0.573005D+01  0.682387D+01  0.502016D+01 -0.397092D+01
                16            17            18            19            20 
      1  -0.687126D+01  0.675789D+01 -0.243368D+01 -0.524321D+02  0.121582D+02
      2   0.502342D+01 -0.148541D+01  0.130345D+01  0.182307D+02 -0.962620D+01
      3   0.184784D+01 -0.527248D+01  0.113023D+01  0.342013D+02 -0.253201D+01
      4   0.131628D+02  0.485547D+01 -0.420418D+01 -0.159741D+02 -0.906542D+01
      5  -0.615792D+01 -0.304150D+01  0.460424D+01 -0.198486D+01  0.178383D+01
      6  -0.554898D+01 -0.602351D+01  0.791459D+01  0.472800D+01 -0.164207D+01
                21            22            23            24            25 
      1   0.430775D+01  0.291330D+02  0.639040D+01 -0.240558D+01  0.187603D+02
      2  -0.381575D+00 -0.236167D+02 -0.224341D+02 -0.317994D+01 -0.390142D+00
      3  -0.392618D+01 -0.551634D+01  0.160437D+02  0.558551D+01 -0.183701D+02
      4   0.225831D+01 -0.254961D+01 -0.122171D+02 -0.158302D+01  0.347941D+01
      5  -0.225071D+01 -0.589067D+01 -0.337420D+01  0.271106D+01  0.245981D+01
      6  -0.472387D+01 -0.551342D+01 -0.831312D+01  0.537911D+01 -0.122287D+02
                26            27            28            29            30 
      1  -0.349047D+01 -0.241373D+02  0.724510D+02 -0.219472D+02 -0.140754D+02
      2  -0.551430D+01  0.968191D+00 -0.375376D+02  0.106315D+02  0.398833D+01
      3   0.900477D+01  0.231691D+02 -0.349134D+02  0.113157D+02  0.100871D+02
      4   0.496162D+01  0.177049D+01  0.448620D+01  0.643640D+01  0.109942D+01
      5   0.328600D+01  0.948960D+01 -0.227526D+01  0.318072D+01  0.115777D+02
      6   0.128804D+02  0.121378D+02 -0.435843D+01  0.672051D+01  0.493458D+01
                31            32            33            34            35 
      1  -0.232510D+02  0.703061D+01  0.211002D+01 -0.160695D+02  0.472036D+01
      2   0.863430D+01  0.771859D+01  0.128042D+01  0.467218D+01 -0.106214D+01
      3   0.146167D+02 -0.147492D+02 -0.339044D+01  0.113973D+02 -0.365823D+01
      4   0.149992D+02  0.179959D+01  0.154060D+00  0.589312D+00  0.447719D+00
      5  -0.197696D+01  0.412051D+01 -0.479847D+01  0.239317D+02 -0.419800D+01
      6   0.638800D+01 -0.590015D+01 -0.260599D+01  0.603055D+01  0.191255D+01
                36            37            38            39            40 
      1   0.111654D+02 -0.688819D+02  0.222602D+02 -0.100973D+02  0.337100D+02
      2  -0.119659D+02  0.423188D+02 -0.125773D+02  0.256781D+01 -0.248149D+02
      3   0.800438D+00  0.265631D+02 -0.968295D+01  0.752954D+01 -0.889512D+01
      4  -0.310054D+00  0.890704D+01  0.211659D+01  0.421678D+01 -0.692356D+01
      5  -0.467717D+01 -0.140235D+02  0.415201D+01 -0.222209D+02  0.576415D+01
      6  -0.638000D+01  0.111739D+01 -0.213177D+00 -0.271543D+01 -0.893592D+00
                41            42            43            44            45 
      1   0.642080D+01  0.782953D+01 -0.176343D+02  0.750446D+01 -0.302466D+02
      2  -0.210007D+02 -0.528207D+01  0.281360D+00 -0.629317D+01  0.280884D+02
      3   0.145799D+02 -0.254746D+01  0.173530D+02 -0.121128D+01  0.215815D+01
      4  -0.399253D+02 -0.820782D+01  0.379457D+01 -0.921285D+01  0.287530D+01
      5  -0.103265D+02  0.109826D+02 -0.542134D+02  0.999361D+01  0.369836D+02
      6  -0.267819D+01  0.252609D+01 -0.783561D+01  0.169053D+01  0.748070D+01
                46            47            48            49            50 
      1   0.761209D+01  0.740245D+01  0.851255D+01  0.654336D+01 -0.114584D+02
      2  -0.503183D+01 -0.299705D+01 -0.393753D+01 -0.219594D+00  0.784306D+01
      3  -0.258027D+01 -0.440540D+01 -0.457502D+01 -0.632377D+01  0.361529D+01
      4   0.165279D+02 -0.153132D+02 -0.701720D+01 -0.256372D+02  0.871217D+01
      5   0.116736D+02 -0.510361D+01 -0.136561D+02  0.156863D+01 -0.471980D+01
      6  -0.945221D+01 -0.272649D+01  0.110680D+02 -0.584146D+01  0.101194D+02
                51            52            53            54            55 
      1  -0.111673D+01  0.826676D+01 -0.490157D+01 -0.632273D+01 -0.104479D+02
      2   0.213326D+01 -0.446246D+01  0.469440D+01  0.708230D+00  0.798596D+01
      3  -0.101653D+01 -0.380429D+01  0.207172D+00  0.561450D+01  0.246196D+01
      4  -0.219438D+01 -0.324350D+00 -0.104171D+02  0.232815D+02  0.177230D+00
      5   0.116508D+02 -0.257717D+02  0.206316D+02 -0.569884D+01 -0.133977D+01
      6  -0.116047D+02  0.208970D+02 -0.227507D+02  0.997617D+01  0.704883D+01
                56            57            58            59            60 
      1   0.149873D+01 -0.108362D+01 -0.197413D+01  0.315509D+02 -0.128704D+01
      2  -0.599815D+01  0.138078D+01 -0.564827D+00 -0.526420D+02 -0.148967D+01
      3   0.449942D+01 -0.297160D+00  0.253896D+01  0.210911D+02  0.277671D+01
      4  -0.169641D+00  0.274506D+01  0.615354D+01  0.481404D+01 -0.679582D+00
      5   0.180850D+01  0.262859D-01 -0.990653D+00 -0.149727D+01 -0.172060D+00
      6   0.363444D+00 -0.199645D+01 -0.268122D+00 -0.343053D+01  0.408350D+01
                61            62            63            64            65 
      1  -0.169577D+01 -0.155293D+01  0.117240D+02  0.657497D+01 -0.355922D+01
      2   0.137726D+01  0.523611D+01  0.656954D+01 -0.105666D+02  0.276822D+00
      3   0.318509D+00 -0.368318D+01 -0.182935D+02  0.399166D+01  0.328240D+01
      4  -0.115176D+01  0.806998D+00 -0.500446D+01 -0.912315D+01  0.899090D+01
      5   0.478580D+01 -0.174665D+01  0.898142D+00  0.169016D+02 -0.124857D+01
      6  -0.327933D+01  0.320398D+01 -0.168375D+02 -0.479049D+01  0.319910D+01
                66            67            68            69            70 
      1   0.160505D+02 -0.546239D+01  0.151287D+02 -0.340740D+00  0.228130D+02
      2  -0.102433D+02  0.864072D+00 -0.564691D+01 -0.161701D+01 -0.138235D+02
      3  -0.580717D+01  0.459831D+01 -0.948182D+01  0.195775D+01 -0.898944D+01
      4  -0.317444D+01  0.200685D+02 -0.166572D+02  0.333371D+01 -0.594145D+01
      5   0.110271D+02 -0.177455D+00  0.522059D+01  0.484532D+01  0.189765D+02
      6   0.599409D+00  0.774702D+00 -0.490428D+01  0.232212D+01 -0.326255D+01
                71            72            73            74            75 
      1  -0.168248D+01  0.489559D+01 -0.227216D+01 -0.116191D+00  0.405737D+01
      2  -0.126877D+01 -0.826257D+01 -0.547402D+01  0.147984D+01  0.424974D+01
      3   0.295124D+01  0.336698D+01  0.774618D+01 -0.136365D+01 -0.830711D+01
      4   0.180926D+01  0.327651D+01 -0.685105D+01  0.458474D+01  0.398445D+01
      5   0.467935D+01 -0.587229D+01 -0.877160D+01  0.357055D+01  0.129429D+02
      6   0.350804D+01  0.181983D+01  0.462746D+01 -0.230061D+01 -0.400739D+01
                76            77            78            79            80 
      1   0.459728D+01 -0.693480D+01 -0.728638D+01  0.656092D+01 -0.735204D+01
      2  -0.838597D+00  0.109453D+01 -0.163793D+00  0.629631D+01 -0.267790D+01
      3  -0.375869D+01  0.584028D+01  0.745017D+01 -0.128572D+02  0.100299D+02
      4   0.445145D+01 -0.203740D+01 -0.406992D+01  0.536912D+01 -0.410007D+01
      5   0.381987D+01 -0.406790D+01 -0.476317D+01  0.145359D+02 -0.600353D+01
      6  -0.289071D+01  0.598080D+01  0.104715D+02 -0.466434D+01  0.992640D+01
                81            82            83            84            85 
      1  -0.268809D+02  0.587309D+01 -0.151525D+01  0.690976D+00 -0.124797D+01
      2  -0.150873D+02 -0.189404D+01  0.281799D+01 -0.516110D+00  0.324113D+01
      3   0.419682D+02 -0.397905D+01 -0.130274D+01 -0.174867D+00 -0.199315D+01
      4  -0.773169D+01  0.112859D+02  0.124197D+02 -0.842948D+01  0.111331D+02
      5  -0.198325D+02 -0.704979D+01 -0.687685D+01  0.850931D+01 -0.556527D+01
      6   0.170170D+02 -0.795973D+01 -0.688698D+01  0.671227D+01 -0.720336D+01
                86            87            88            89            90 
      1  -0.106186D+02  0.492382D+01  0.174031D+00  0.504338D+01 -0.689836D+01
      2   0.137222D+02 -0.509800D+01  0.215855D+00 -0.424275D+01  0.463862D+00
      3  -0.310361D+01  0.174185D+00 -0.389886D+00 -0.800628D+00  0.643450D+01
      4   0.164006D+02 -0.951712D+01 -0.870522D+01 -0.977273D+01  0.101696D+02
      5  -0.771917D+01  0.598659D+01  0.775017D+01  0.746855D+01 -0.969960D+01
      6  -0.150468D+02  0.127802D+02  0.776179D+01  0.136643D+02 -0.141060D+02
                91            92            93            94            95 
      1  -0.295312D+01  0.819980D+00  0.192986D+01  0.125774D+01 -0.336481D+02
      2   0.432849D+01  0.297608D+01 -0.684577D+00  0.265328D+01  0.491781D+02
      3  -0.137537D+01 -0.379606D+01 -0.124528D+01 -0.391102D+01 -0.155300D+02
      4   0.297909D+01  0.101392D+02  0.139856D+01  0.923402D+01  0.205188D+02
      5   0.131558D+01  0.181531D+01  0.161314D+01  0.239392D+01  0.533802D+01
      6   0.377786D+01  0.684550D-01 -0.341015D-01  0.132504D+01  0.164618D+02
                96            97            98            99           100 
      1  -0.708773D+01  0.356108D+01 -0.343707D+01 -0.117501D+01  0.444381D+01
      2   0.683078D+01 -0.326186D+01  0.358610D+01  0.319992D+01  0.770701D+00
      3   0.256943D+00 -0.299212D+00 -0.149033D+00 -0.202492D+01 -0.521451D+01
      4   0.330156D+01  0.152476D+01 -0.224649D+00  0.123396D+01  0.658178D+01
      5   0.314365D+01  0.270143D+01  0.138829D+01 -0.190734D+00  0.268427D+01
      6   0.927953D+01  0.335912D+01  0.549953D+01  0.168022D+01  0.798727D+00
               101           102           103           104           105 
      1   0.582122D+01  0.265470D+01  0.951387D+01 -0.681763D+01 -0.826636D+00
      2  -0.183330D+01 -0.100408D+01  0.456496D+01  0.313581D+02  0.199098D+01
      3  -0.398792D+01 -0.165062D+01 -0.140788D+02 -0.245405D+02 -0.116434D+01
      4   0.922083D+01  0.867266D+00  0.273770D+02  0.569959D+02  0.372356D+01
      5   0.223046D+00  0.293462D+01  0.974242D+00  0.467539D+01  0.776620D+01
      6   0.218038D+00  0.184491D+00  0.419397D+00  0.351494D+00  0.635114D+01
               106           107           108           109           110 
      1   0.494040D+01 -0.896465D+00  0.508829D+00  0.886618D+02 -0.121570D+02
      2  -0.109547D+01  0.277901D+01  0.565570D+00 -0.482930D+02  0.803617D+01
      3  -0.384493D+01 -0.188254D+01 -0.107440D+01 -0.403688D+02  0.412080D+01
      4   0.359513D+01  0.727489D+01  0.579608D+01 -0.797481D+00  0.102272D+02
      5   0.706308D+01  0.562809D+01 -0.645346D-01  0.274767D+02 -0.500028D+01
      6   0.248682D+01  0.660692D+01  0.128755D+01  0.997673D+00 -0.176553D+00
               111           112           113           114           115 
      1   0.194481D+02 -0.366828D+02  0.104335D+02 -0.594670D+01  0.407089D+02
      2  -0.112139D+02  0.209295D+02 -0.429559D+01  0.417481D+01 -0.225976D+02
      3  -0.823427D+01  0.157533D+02 -0.613791D+01  0.177188D+01 -0.181113D+02
      4  -0.248416D+01  0.113399D+02 -0.574526D+01  0.627835D+01 -0.799420D+00
      5   0.178894D+02 -0.955467D+01  0.748503D+01 -0.819173D+01  0.330437D+02
      6   0.198378D+01  0.177884D+01 -0.459825D+00  0.677866D+00  0.274856D+01
               116           117           118           119           120 
      1  -0.538270D+01  0.194141D+02  0.290606D+02 -0.224509D+01 -0.118467D+02
      2   0.467315D+01 -0.153333D+02 -0.198099D+02  0.169638D+01  0.929452D+01
      3   0.709548D+00 -0.408079D+01 -0.925072D+01  0.548713D+00  0.255222D+01
      4   0.857908D+01 -0.257953D+01  0.401590D+01  0.326795D+01 -0.266164D+01
      5  -0.618456D+01  0.129462D+02 -0.164600D+02 -0.477814D+00  0.197832D+02
      6   0.123413D+01  0.128487D+00 -0.325718D+01 -0.646228D+00  0.316341D+01
               121           122           123           124           125 
      1  -0.145576D+02  0.142128D+01  0.253254D+01 -0.249743D+02 -0.202298D+01
      2   0.106327D+02 -0.555884D+00 -0.399369D+01  0.231048D+02 -0.938609D+00
      3   0.392494D+01 -0.865393D+00  0.146114D+01  0.186944D+01  0.296159D+01
      4   0.597451D+01  0.181680D+01 -0.591555D+01 -0.994490D+01 -0.930214D+01
      5   0.464376D+01 -0.598433D+01 -0.698806D+01  0.454172D+02 -0.199526D+01
      6  -0.201090D+01 -0.855555D-01  0.331445D+01  0.807343D+01  0.423694D+01
               126           127           128           129           130 
      1   0.159952D+02  0.215704D+02 -0.658806D+01 -0.935184D+01 -0.478455D+01
      2  -0.267516D+02 -0.886766D+01 -0.237157D-01  0.466386D+01 -0.190561D+01
      3   0.107564D+02 -0.127028D+02  0.661178D+01  0.468798D+01  0.669016D+01
      4   0.246317D+01 -0.234200D+02  0.176858D+02  0.102124D+02  0.158250D+02
      5  -0.557131D+02 -0.177148D+02  0.725460D+01  0.129997D+02  0.574629D+01
      6  -0.115188D+02  0.938979D+01 -0.481137D+01 -0.711818D+01 -0.483330D+01
               131           132           133           134           135 
      1   0.161128D+01  0.378183D+00 -0.120059D+02  0.765375D+00  0.357991D+01
      2   0.407292D+01  0.217896D+01  0.704895D+01  0.158918D+01 -0.408563D+01
      3  -0.568421D+01 -0.255714D+01  0.495691D+01 -0.235456D+01  0.505724D+00
      4  -0.140714D+02 -0.758010D+01  0.146596D+02 -0.119110D+02 -0.143709D+02
      5  -0.689968D+01 -0.669242D+01  0.190362D+02 -0.119271D+02 -0.156505D+02
      6   0.615259D+01  0.738452D+01 -0.116852D+02  0.111211D+02  0.959417D+01
               136           137           138           139           140 
      1   0.608258D+01 -0.484798D+01  0.309637D+01 -0.689892D+00 -0.527940D+01
      2  -0.209268D+01  0.598609D+00 -0.214598D+01 -0.353072D+01  0.102825D+02
      3  -0.398990D+01  0.424937D+01 -0.950389D+00  0.422061D+01 -0.500313D+01
      4  -0.140003D+02  0.135914D+02 -0.601980D+01  0.146748D+02 -0.174103D+02
      5   0.787909D+01 -0.504708D+01  0.996818D+01 -0.542882D+01  0.101322D+02
      6  -0.621758D+01  0.463835D+01 -0.573412D+01  0.718143D+01 -0.141723D+02
               141           142           143           144           145 
      1   0.303097D+01  0.398604D+01  0.578629D+01 -0.255029D+01  0.379645D+00
      2  -0.457219D+01 -0.209000D+01 -0.690690D+01 -0.292484D+01 -0.354028D+01
      3   0.154122D+01 -0.189604D+01  0.112062D+01  0.547513D+01  0.316064D+01
      4   0.105011D+02 -0.152256D+02  0.202660D+02 -0.178151D+02  0.490102D+00
      5  -0.855007D+01  0.184637D+02 -0.162713D+02  0.212064D+02  0.100046D+01
      6   0.131623D+02 -0.154102D+02  0.213609D+02 -0.223818D+02  0.918605D+00
               146           147           148           149           150 
      1  -0.828124D+00 -0.796925D+00  0.378257D+00 -0.459693D+01 -0.936282D+00
      2   0.152223D+01 -0.547293D+00  0.939427D+00  0.375946D+01  0.382304D+01
      3  -0.694106D+00  0.134422D+01 -0.131768D+01  0.837471D+00 -0.288676D+01
      4   0.241660D+01  0.177879D+01 -0.237622D+00  0.381653D+00  0.450646D-01
      5  -0.335505D+00  0.559531D+01 -0.121131D+00  0.380005D+00  0.631020D-01
      6   0.116915D+01  0.153161D+01  0.503948D+00  0.254734D+01  0.234971D+01
               151           152           153           154           155 
      1  -0.598752D+00 -0.732233D+01 -0.196174D+02 -0.158097D+01 -0.309954D+01
      2  -0.145263D+01  0.506687D+01 -0.888314D+01  0.654921D+01  0.459837D+01
      3   0.205139D+01  0.225545D+01  0.285006D+02 -0.496824D+01 -0.149883D+01
      4   0.372992D+01  0.242565D+00  0.250881D+01  0.137364D-01  0.105131D+02
      5   0.365872D+01 -0.600938D+00 -0.951522D+00  0.298862D+00  0.847561D+00
      6   0.112119D+01  0.867877D+01  0.231944D+02 -0.533428D+00  0.447461D+00
               156           157           158           159           160 
      1  -0.361805D+00 -0.176205D+01 -0.487014D+02 -0.266358D+01  0.382371D-01
      2  -0.646472D-01  0.168756D+01  0.810076D+02  0.284946D+01  0.210135D+00
      3   0.426452D+00  0.744992D-01 -0.323062D+02 -0.185880D+00 -0.248372D+00
      4  -0.221420D+00  0.756145D+01 -0.314382D+01 -0.918378D-01 -0.806785D+00
      5   0.144506D+01  0.148342D+00  0.882361D+00 -0.247432D+00  0.545156D+00
      6   0.799846D+00  0.309985D+00  0.685880D+01  0.783732D+01  0.680148D+00
               161           162           163           164           165 
      1   0.270741D+01 -0.618523D+01  0.207689D+02 -0.191137D+01 -0.674720D+01
      2  -0.524014D+01  0.611043D+01 -0.369377D+01  0.100479D+02  0.915522D+01
      3   0.253272D+01  0.748011D-01 -0.170752D+02 -0.813649D+01 -0.240802D+01
      4   0.997337D+00 -0.751186D-01 -0.527758D+01 -0.103809D+02  0.521439D+00
      5  -0.580640D+00  0.166331D-01 -0.385850D+01 -0.130298D+01 -0.154697D+02
      6   0.975653D+01  0.107244D+01  0.213712D+01 -0.114156D+02 -0.381229D+01
               166           167           168           169           170 
      1  -0.239960D+01 -0.892205D+00 -0.998202D+00 -0.762394D+01  0.989734D+00
      2   0.157381D+02 -0.669955D+01  0.162341D+02  0.107798D+02  0.114615D+02
      3  -0.133385D+02  0.759176D+01 -0.152359D+02 -0.315588D+01 -0.124512D+02
      4  -0.185588D+02  0.244261D+02 -0.135991D+02  0.332587D+00 -0.760518D+01
      5  -0.346304D+01 -0.202991D+02 -0.143767D+02 -0.223285D+02 -0.110597D+02
      6  -0.163864D+02  0.180279D+02 -0.102620D+02 -0.485561D+01 -0.614913D+01
               171           172           173           174           175 
      1  -0.107511D+02 -0.882079D+01 -0.102911D+02 -0.241130D+02 -0.164001D+02
      2   0.957228D+01  0.354724D+00  0.985218D+01  0.111955D+02  0.167640D+02
      3   0.117880D+01  0.846606D+01  0.438949D+00  0.129175D+02 -0.363911D+00
      4  -0.843255D+01 -0.883666D+01 -0.272222D+02 -0.686829D+01 -0.461501D+02
      5  -0.931306D+01 -0.265590D+02 -0.705245D+01 -0.941153D+01 -0.114287D+02
      6  -0.132546D+02 -0.204860D+00  0.199421D+01 -0.519734D+00  0.340663D+01
               176           177           178           179           180 
      1  -0.268564D+02 -0.105863D+02 -0.318727D+02 -0.105912D+02 -0.877547D+01
      2   0.444867D+01  0.253407D+01  0.116302D+02  0.186580D+01  0.142442D+02
      3   0.224078D+02  0.805221D+01  0.202425D+02  0.872541D+01 -0.546871D+01
      4   0.365260D+02 -0.274685D+01 -0.113126D+02 -0.428681D+01 -0.189611D+02
      5  -0.100844D+01 -0.187539D+02 -0.171736D+02 -0.184534D+02  0.302555D+02
      6  -0.433732D+01 -0.127280D+01 -0.152797D+01  0.137998D+01  0.142768D+01
               181           182           183           184           185 
      1  -0.134505D+02 -0.254968D+01  0.115852D+02 -0.539323D+00 -0.347428D+01
      2   0.427429D+01  0.137332D+00  0.103426D+01 -0.117303D+01  0.280580D+01
      3   0.917616D+01  0.241234D+01 -0.126195D+02  0.171235D+01  0.668482D+00
      4   0.807934D+01  0.119574D+01 -0.702811D+00  0.380082D+01 -0.143742D+01
      5  -0.121248D+02  0.198993D+00  0.221928D+01 -0.783886D-01  0.700018D+00
      6  -0.154460D+01 -0.396725D+01  0.557707D+01 -0.100050D+01 -0.299424D+01
               186           187           188           189           190 
      1   0.184258D+01  0.788472D+01  0.144266D+01 -0.642861D+01  0.724078D+01
      2  -0.266960D+01  0.309738D+00 -0.110191D+01 -0.305281D+01 -0.122982D+02
      3   0.827020D+00 -0.819446D+01 -0.340751D+00  0.948142D+01  0.505746D+01
      4   0.924501D+00 -0.739499D+00 -0.360656D+00  0.277923D+01  0.425862D+01
      5   0.235691D+01  0.645063D+01  0.167154D+01 -0.294008D+01  0.198447D+02
      6   0.395872D+01  0.327175D+01  0.300365D+01 -0.145232D+01  0.342826D+01
               191           192           193           194           195 
      1   0.329295D+01  0.332861D+01  0.481940D+01 -0.387336D+00 -0.313747D+01
      2  -0.537494D+01 -0.127305D+02 -0.949584D+01 -0.294828D+01 -0.116233D+02
      3   0.208198D+01  0.940189D+01  0.467644D+01  0.333562D+01  0.147608D+02
      4   0.642462D+01  0.255799D+01  0.833635D+01  0.531476D+01  0.815351D+01
      5   0.567159D+01  0.219962D+02  0.133489D+02  0.111349D+02  0.180547D+02
      6   0.596461D+01  0.287586D+01  0.793211D+01  0.745452D+01  0.103142D+02
               196           197           198           199           200 
      1   0.228489D+01 -0.165140D+01 -0.677622D+01  0.403866D+01 -0.344200D+01
      2  -0.124548D+02 -0.640634D+01 -0.207779D+02 -0.109204D+00 -0.299782D+01
      3   0.101699D+02  0.805774D+01  0.275541D+02 -0.392946D+01  0.643982D+01
      4   0.286571D+01  0.555910D+01  0.588230D+01 -0.121979D+02  0.154781D+02
      5   0.205701D+02  0.827834D+01  0.284405D+02  0.867724D+01 -0.777957D+01
      6   0.405875D+01  0.774556D+01  0.807148D+01 -0.693547D+01  0.931892D+01
               201           202           203           204           205 
      1   0.210857D+00 -0.200064D+01 -0.114371D+02  0.713542D+01 -0.113806D+01
      2  -0.201446D+01 -0.611647D+01  0.238070D+02 -0.534199D+01 -0.160935D+01
      3   0.180360D+01  0.811711D+01 -0.123699D+02 -0.179344D+01  0.274741D+01
      4  -0.533583D+01  0.192261D+02 -0.328249D+02  0.116769D+02 -0.149341D+01
      5   0.923007D+01 -0.956487D+01  0.153991D+02 -0.931484D+01  0.615793D+01
      6  -0.432808D+01  0.123750D+02 -0.290780D+02  0.164876D+02 -0.326299D+01
               206           207           208           209           210 
      1   0.387537D+01 -0.223063D+01  0.472285D+01  0.358146D+01 -0.596404D+01
      2  -0.796302D+00  0.154597D+00 -0.491154D+01 -0.243105D+01  0.469177D+01
      3  -0.307907D+01  0.207603D+01  0.188694D+00 -0.115042D+01  0.127228D+01
      4   0.384907D+01 -0.452464D+01  0.360019D+01  0.391140D+01 -0.104968D+01
      5  -0.453665D+01  0.560898D+01 -0.707925D+01 -0.158432D+01  0.107561D+02
      6   0.995633D+01 -0.575693D+01 -0.820054D+00 -0.391940D+00  0.258975D+00
               211           212           213           214           215 
      1   0.752842D+01  0.239187D+01  0.567349D+00 -0.129642D+02  0.138171D+01
      2  -0.540271D+01 -0.141025D+01  0.280158D+01  0.121904D+02  0.233863D+01
      3  -0.212571D+01 -0.981625D+00 -0.336893D+01  0.773786D+00 -0.372034D+01
      4   0.870690D+01  0.239552D+01 -0.722358D+01 -0.148879D+01 -0.866398D+01
      5  -0.457130D+01 -0.697161D+01  0.129039D+02  0.234807D+02  0.990063D+01
      6  -0.197761D+01 -0.222145D+01  0.500387D+01  0.561462D+00  0.461284D+01
               216           217           218           219           220 
      1   0.170715D+01  0.230418D+02 -0.133938D+02  0.128512D+01 -0.257785D+02
      2  -0.187730D+02 -0.686676D+01  0.299414D+01 -0.449646D+00  0.352385D+01
      3   0.170658D+02 -0.161751D+02  0.103996D+02 -0.835479D+00  0.222547D+02
      4   0.100623D+02 -0.193975D+02  0.219306D+02  0.164269D+01  0.411475D+02
      5  -0.471350D+02 -0.524088D+00  0.257635D+01  0.484182D+01  0.645548D+01
      6  -0.171150D+01  0.198864D+01 -0.198963D+01 -0.827984D+00 -0.427174D+01
               221           222           223           224           225 
      1   0.137143D+02  0.240188D+01  0.571727D+01  0.648550D+00  0.328166D+01
      2   0.105874D+02 -0.170419D+01 -0.173067D+01 -0.801004D+00 -0.148918D+01
      3  -0.243017D+02 -0.697690D+00 -0.398660D+01  0.152454D+00 -0.179248D+01
      4  -0.546512D+02 -0.161392D+01  0.413269D+00  0.112360D+01 -0.481556D+01
      5  -0.287239D+01 -0.822370D+01  0.915946D+01 -0.529780D+01 -0.282477D+01
      6   0.666569D+01  0.566509D+01 -0.304550D+01  0.512059D+01  0.206757D+00
               226           227           228           229           230 
      1   0.580245D+02  0.156746D+02  0.161352D+02  0.324276D+02  0.154051D+02
      2  -0.282090D+02 -0.773197D+01 -0.788306D+01 -0.154245D+02 -0.381269D+01
      3  -0.298155D+02 -0.794260D+01 -0.825213D+01 -0.170031D+02 -0.115924D+02
      4   0.183679D+02  0.156708D+02  0.637866D+01  0.266009D+02  0.134953D+02
      5   0.169617D+02  0.579058D+01  0.133435D+02  0.929448D+01  0.702932D+01
      6   0.822827D+00 -0.161707D+00  0.232419D+00  0.830905D+00  0.177352D+01
               231           232           233           234 
      1   0.742787D+01  0.350344D+02  0.736041D+01  0.128299D+02
      2  -0.279608D+01 -0.176980D+02 -0.317465D+01 -0.952971D+01
      3  -0.463178D+01 -0.173364D+02 -0.418576D+01 -0.330015D+01
      4   0.814882D+01  0.110316D+02  0.107151D+02  0.916043D+01
      5   0.116935D+02  0.206644D+02  0.887722D+01  0.142889D+02
      6   0.224286D+01  0.188960D+01  0.162409D+01  0.163218D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:46:02 2021, MaxMem=  5637144576 cpu:           15837.0 elap:            1992.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.19305 -10.18373 -10.18141 -10.18087 -10.18085
 Alpha  occ. eigenvalues --  -10.17975 -10.17869 -10.17372 -10.17059 -10.17016
 Alpha  occ. eigenvalues --   -0.87470  -0.80308  -0.74366  -0.72263  -0.68714
 Alpha  occ. eigenvalues --   -0.67679  -0.62705  -0.57710  -0.52781  -0.49878
 Alpha  occ. eigenvalues --   -0.47907  -0.46319  -0.45118  -0.43286  -0.42575
 Alpha  occ. eigenvalues --   -0.40749  -0.40217  -0.39609  -0.38687  -0.38298
 Alpha  occ. eigenvalues --   -0.36792  -0.36169  -0.34611  -0.33185  -0.32029
 Alpha  occ. eigenvalues --   -0.28553  -0.26665  -0.22594
 Alpha virt. eigenvalues --    0.01049   0.01395   0.03089   0.04281   0.04576
 Alpha virt. eigenvalues --    0.06042   0.06464   0.06911   0.07840   0.08684
 Alpha virt. eigenvalues --    0.09386   0.09916   0.10605   0.11046   0.11308
 Alpha virt. eigenvalues --    0.12250   0.12959   0.13852   0.13968   0.14364
 Alpha virt. eigenvalues --    0.15301   0.15374   0.16239   0.16680   0.17227
 Alpha virt. eigenvalues --    0.17609   0.18103   0.19492   0.20096   0.21149
 Alpha virt. eigenvalues --    0.22265   0.22512   0.23650   0.24193   0.25165
 Alpha virt. eigenvalues --    0.25707   0.26363   0.27110   0.27625   0.28016
 Alpha virt. eigenvalues --    0.28758   0.29341   0.29480   0.30235   0.31144
 Alpha virt. eigenvalues --    0.31401   0.31533   0.31942   0.32198   0.32861
 Alpha virt. eigenvalues --    0.33242   0.33849   0.34161   0.34600   0.35051
 Alpha virt. eigenvalues --    0.35186   0.35690   0.36022   0.36607   0.36892
 Alpha virt. eigenvalues --    0.37278   0.37634   0.37968   0.38257   0.38677
 Alpha virt. eigenvalues --    0.39146   0.39846   0.40454   0.40855   0.41273
 Alpha virt. eigenvalues --    0.41418   0.42490   0.42785   0.43378   0.43784
 Alpha virt. eigenvalues --    0.44334   0.44636   0.45306   0.45905   0.45976
 Alpha virt. eigenvalues --    0.47244   0.47382   0.47734   0.48165   0.48299
 Alpha virt. eigenvalues --    0.49024   0.49787   0.50002   0.51061   0.51498
 Alpha virt. eigenvalues --    0.51866   0.52303   0.52582   0.52752   0.53524
 Alpha virt. eigenvalues --    0.54525   0.54681   0.55265   0.55518   0.55762
 Alpha virt. eigenvalues --    0.56234   0.56887   0.57486   0.58675   0.59041
 Alpha virt. eigenvalues --    0.59303   0.59907   0.60155   0.60281   0.61865
 Alpha virt. eigenvalues --    0.62655   0.63064   0.63809   0.63890   0.65781
 Alpha virt. eigenvalues --    0.66307   0.66940   0.68448   0.70346   0.70671
 Alpha virt. eigenvalues --    0.71095   0.72085   0.72237   0.73801   0.75119
 Alpha virt. eigenvalues --    0.75791   0.76770   0.77350   0.77778   0.79914
 Alpha virt. eigenvalues --    0.80500   0.81337   0.81834   0.83294   0.84435
 Alpha virt. eigenvalues --    0.86067   0.90348   0.91639   0.93400   0.93796
 Alpha virt. eigenvalues --    0.94479   0.95339   0.95880   0.96543   0.98452
 Alpha virt. eigenvalues --    0.99683   1.00685   1.00926   1.01593   1.02526
 Alpha virt. eigenvalues --    1.02760   1.03717   1.04775   1.05069   1.07265
 Alpha virt. eigenvalues --    1.07409   1.07956   1.10051   1.11539   1.14254
 Alpha virt. eigenvalues --    1.15550   1.16307   1.17695   1.18757   1.18927
 Alpha virt. eigenvalues --    1.21121   1.23882   1.24408   1.26413   1.27718
 Alpha virt. eigenvalues --    1.29453   1.29601   1.31466   1.32323   1.33920
 Alpha virt. eigenvalues --    1.35363   1.35700   1.37633   1.39053   1.40250
 Alpha virt. eigenvalues --    1.40505   1.41906   1.43465   1.43947   1.46242
 Alpha virt. eigenvalues --    1.47395   1.48882   1.50448   1.53854   1.56145
 Alpha virt. eigenvalues --    1.59181   1.62892   1.64614   1.66260   1.66683
 Alpha virt. eigenvalues --    1.69191   1.69380   1.70124   1.71034   1.73228
 Alpha virt. eigenvalues --    1.75087   1.76567   1.78870   1.79287   1.79661
 Alpha virt. eigenvalues --    1.80666   1.81832   1.83900   1.84990   1.87653
 Alpha virt. eigenvalues --    1.90791   1.91618   1.93539   1.95652   1.96882
 Alpha virt. eigenvalues --    1.97011   2.00712   2.01443   2.02010   2.02946
 Alpha virt. eigenvalues --    2.03130   2.04623   2.05880   2.07525   2.07967
 Alpha virt. eigenvalues --    2.08692   2.09973   2.10718   2.14303   2.15631
 Alpha virt. eigenvalues --    2.16632   2.17308   2.19192   2.19732   2.20651
 Alpha virt. eigenvalues --    2.22605   2.24073   2.24406   2.26543   2.27719
 Alpha virt. eigenvalues --    2.29292   2.31342   2.32887   2.34063   2.37247
 Alpha virt. eigenvalues --    2.38483   2.39561   2.41313   2.43297   2.44893
 Alpha virt. eigenvalues --    2.46171   2.49771   2.52529   2.55051   2.55864
 Alpha virt. eigenvalues --    2.56637   2.58273   2.59496   2.61694   2.63916
 Alpha virt. eigenvalues --    2.64517   2.66644   2.67810   2.68925   2.70307
 Alpha virt. eigenvalues --    2.71655   2.74138   2.78203   2.86271   2.86935
 Alpha virt. eigenvalues --    2.91058   2.92263   2.95882   2.96971   3.00622
 Alpha virt. eigenvalues --    3.03088   3.06704   3.07592   3.09660   3.10560
 Alpha virt. eigenvalues --    3.12851   3.13196   3.15205   3.16756   3.19256
 Alpha virt. eigenvalues --    3.20998   3.21940   3.23499   3.26630   3.35807
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.512260   0.360571   0.145286  -0.151059   0.053253  -0.124892
     2  C    0.360571   6.695702   0.055884  -0.264349   0.011172   0.098937
     3  C    0.145286   0.055884   7.924115  -0.060244  -0.466262  -0.567900
     4  C   -0.151059  -0.264349  -0.060244   7.796264   0.152646  -0.094725
     5  C    0.053253   0.011172  -0.466262   0.152646   5.494235  -0.478370
     6  C   -0.124892   0.098937  -0.567900  -0.094725  -0.478370   5.910966
     7  C   -0.016890   0.055931  -0.027981   0.031285   0.019052   0.202357
     8  C   -0.779941  -0.409534  -0.192215   0.151152   0.017391   0.060411
     9  H    0.201409  -0.016911  -0.697188  -0.092219   0.013020  -0.005745
    10  H   -0.287128  -0.553224  -0.009024   0.115035  -0.003102   0.068887
    11  H   -0.501657  -0.062466  -0.149148  -0.300159  -0.129903   0.152605
    12  H    0.008003  -0.000752  -0.082299   0.181416   0.167852   0.035642
    13  H   -0.006559   0.000410   0.027050   0.170637   0.081471  -0.030068
    14  H   -0.000093   0.001422   0.043937   0.101792   0.126536  -0.022971
    15  H    0.010228   0.014084   0.069268   0.052486  -0.102283   0.065721
    16  H    0.016443   0.003022   0.023966   0.154335   0.034714   0.003243
    17  H   -0.023321  -0.032366  -0.004716   0.034982   0.004269   0.053763
    18  H    0.026458   0.122804   0.050982   0.020401   0.005533  -0.195083
    19  C   -0.069779  -0.129041  -0.087716   0.010927   0.006372  -0.008863
    20  C   -0.326574  -0.346661   0.074281   0.008122   0.000199  -0.000191
    21  H   -0.114829  -0.074639  -0.080061  -0.013267   0.004971  -0.011507
    22  H    0.034658   0.030456   0.009399   0.002446  -0.000593  -0.000328
    23  H    0.042428   0.000387   0.004004  -0.004577   0.000327  -0.001288
    24  H   -0.088385  -0.066697   0.007631   0.000282   0.000037   0.001245
    25  H    0.017335   0.056996   0.002029   0.001023  -0.000030  -0.000112
    26  H    0.053281  -0.016442  -0.004969  -0.001832   0.000015  -0.000469
               7          8          9         10         11         12
     1  C   -0.016890  -0.779941   0.201409  -0.287128  -0.501657   0.008003
     2  C    0.055931  -0.409534  -0.016911  -0.553224  -0.062466  -0.000752
     3  C   -0.027981  -0.192215  -0.697188  -0.009024  -0.149148  -0.082299
     4  C    0.031285   0.151152  -0.092219   0.115035  -0.300159   0.181416
     5  C    0.019052   0.017391   0.013020  -0.003102  -0.129903   0.167852
     6  C    0.202357   0.060411  -0.005745   0.068887   0.152605   0.035642
     7  C    5.448599  -0.169358   0.066119  -0.823530   0.020524   0.001978
     8  C   -0.169358  10.832751  -0.560098  -0.335474   0.045966   0.000203
     9  H    0.066119  -0.560098   3.366606  -0.243969  -0.417226  -0.000396
    10  H   -0.823530  -0.335474  -0.243969   4.575393   0.027691  -0.000026
    11  H    0.020524   0.045966  -0.417226   0.027691   2.548605  -0.035912
    12  H    0.001978   0.000203  -0.000396  -0.000026  -0.035912   0.757033
    13  H    0.001480  -0.001321  -0.000666  -0.000123  -0.003877  -0.063849
    14  H    0.004564  -0.005281   0.000124  -0.000280  -0.003706  -0.024752
    15  H   -0.075953   0.007727  -0.002274   0.016920  -0.004563  -0.000419
    16  H    0.037021   0.005220   0.013924  -0.011991  -0.012489   0.002795
    17  H    0.100769  -0.037262  -0.004693   0.145433   0.001682  -0.000213
    18  H    0.338424  -0.026974   0.015536  -0.524810  -0.006059  -0.000012
    19  C   -0.127237  -1.201925   0.177878   0.178383  -0.028519   0.000297
    20  C    0.085551  -0.019030  -0.240839  -0.270843   0.012466  -0.000003
    21  H   -0.030543   0.177306   0.010164   0.013159  -0.017459   0.000800
    22  H   -0.007428   0.332889  -0.005365   0.005094   0.000304  -0.000036
    23  H    0.013215   0.345072   0.008777  -0.003660  -0.005317  -0.000015
    24  H   -0.000294   0.210460  -0.056163  -0.023950   0.000424  -0.000001
    25  H   -0.002870   0.308228  -0.010418   0.020925   0.001681   0.000002
    26  H    0.008129   0.326102   0.021288  -0.043014  -0.000748   0.000000
              13         14         15         16         17         18
     1  C   -0.006559  -0.000093   0.010228   0.016443  -0.023321   0.026458
     2  C    0.000410   0.001422   0.014084   0.003022  -0.032366   0.122804
     3  C    0.027050   0.043937   0.069268   0.023966  -0.004716   0.050982
     4  C    0.170637   0.101792   0.052486   0.154335   0.034982   0.020401
     5  C    0.081471   0.126536  -0.102283   0.034714   0.004269   0.005533
     6  C   -0.030068  -0.022971   0.065721   0.003243   0.053763  -0.195083
     7  C    0.001480   0.004564  -0.075953   0.037021   0.100769   0.338424
     8  C   -0.001321  -0.005281   0.007727   0.005220  -0.037262  -0.026974
     9  H   -0.000666   0.000124  -0.002274   0.013924  -0.004693   0.015536
    10  H   -0.000123  -0.000280   0.016920  -0.011991   0.145433  -0.524810
    11  H   -0.003877  -0.003706  -0.004563  -0.012489   0.001682  -0.006059
    12  H   -0.063849  -0.024752  -0.000419   0.002795  -0.000213  -0.000012
    13  H    0.798659   0.089992  -0.010651   0.002419   0.001670  -0.000199
    14  H    0.089992   0.646145   0.006097   0.004055   0.001229   0.000451
    15  H   -0.010651   0.006097   1.005288  -0.016594  -0.021836  -0.016187
    16  H    0.002419   0.004055  -0.016594   0.803514   0.005798  -0.016415
    17  H    0.001670   0.001229  -0.021836   0.005798   1.234083  -0.326831
    18  H   -0.000199   0.000451  -0.016187  -0.016415  -0.326831   1.575766
    19  C    0.000209   0.001053  -0.000703  -0.001433   0.030788  -0.008690
    20  C    0.000008   0.000040  -0.000276  -0.001177   0.006035   0.006558
    21  H   -0.000413  -0.002864   0.006203   0.000034   0.009377  -0.002312
    22  H    0.000008   0.000046   0.000183  -0.000078   0.003206  -0.001306
    23  H    0.000004   0.000174   0.000002   0.000008   0.000296   0.000146
    24  H    0.000001   0.000001  -0.000001  -0.000067   0.000323  -0.000916
    25  H    0.000000  -0.000001   0.000002   0.000031   0.000696  -0.000382
    26  H   -0.000000   0.000000  -0.000027  -0.000004  -0.001742   0.002274
              19         20         21         22         23         24
     1  C   -0.069779  -0.326574  -0.114829   0.034658   0.042428  -0.088385
     2  C   -0.129041  -0.346661  -0.074639   0.030456   0.000387  -0.066697
     3  C   -0.087716   0.074281  -0.080061   0.009399   0.004004   0.007631
     4  C    0.010927   0.008122  -0.013267   0.002446  -0.004577   0.000282
     5  C    0.006372   0.000199   0.004971  -0.000593   0.000327   0.000037
     6  C   -0.008863  -0.000191  -0.011507  -0.000328  -0.001288   0.001245
     7  C   -0.127237   0.085551  -0.030543  -0.007428   0.013215  -0.000294
     8  C   -1.201925  -0.019030   0.177306   0.332889   0.345072   0.210460
     9  H    0.177878  -0.240839   0.010164  -0.005365   0.008777  -0.056163
    10  H    0.178383  -0.270843   0.013159   0.005094  -0.003660  -0.023950
    11  H   -0.028519   0.012466  -0.017459   0.000304  -0.005317   0.000424
    12  H    0.000297  -0.000003   0.000800  -0.000036  -0.000015  -0.000001
    13  H    0.000209   0.000008  -0.000413   0.000008   0.000004   0.000001
    14  H    0.001053   0.000040  -0.002864   0.000046   0.000174   0.000001
    15  H   -0.000703  -0.000276   0.006203   0.000183   0.000002  -0.000001
    16  H   -0.001433  -0.001177   0.000034  -0.000078   0.000008  -0.000067
    17  H    0.030788   0.006035   0.009377   0.003206   0.000296   0.000323
    18  H   -0.008690   0.006558  -0.002312  -0.001306   0.000146  -0.000916
    19  C    6.637381  -0.770648   0.428689  -0.259598  -0.230615  -0.004488
    20  C   -0.770648   6.267916  -0.022950   0.007345   0.008465   0.374083
    21  H    0.428689  -0.022950   1.099133  -0.093845  -0.067829  -0.003180
    22  H   -0.259598   0.007345  -0.093845   0.848975  -0.055062  -0.000174
    23  H   -0.230615   0.008465  -0.067829  -0.055062   0.964198  -0.000201
    24  H   -0.004488   0.374083  -0.003180  -0.000174  -0.000201   0.779597
    25  H    0.035776  -0.225188   0.000727  -0.000205   0.001713  -0.071126
    26  H    0.006401  -0.120155  -0.000781   0.006109  -0.002284  -0.046595
              25         26
     1  C    0.017335   0.053281
     2  C    0.056996  -0.016442
     3  C    0.002029  -0.004969
     4  C    0.001023  -0.001832
     5  C   -0.000030   0.000015
     6  C   -0.000112  -0.000469
     7  C   -0.002870   0.008129
     8  C    0.308228   0.326102
     9  H   -0.010418   0.021288
    10  H    0.020925  -0.043014
    11  H    0.001681  -0.000748
    12  H    0.000002   0.000000
    13  H    0.000000  -0.000000
    14  H   -0.000001   0.000000
    15  H    0.000002  -0.000027
    16  H    0.000031  -0.000004
    17  H    0.000696  -0.001742
    18  H   -0.000382   0.002274
    19  C    0.035776   0.006401
    20  C   -0.225188  -0.120155
    21  H    0.000727  -0.000781
    22  H   -0.000205   0.006109
    23  H    0.001713  -0.002284
    24  H   -0.071126  -0.046595
    25  H    0.834516  -0.022570
    26  H   -0.022570   0.850298
 Mulliken charges:
               1
     1  C    1.009494
     2  C    0.465305
     3  C   -0.008108
     4  C   -2.002800
     5  C    0.987476
     6  C    0.888735
     7  C    0.847085
     8  C   -3.082464
     9  H   -0.540675
    10  H   -1.032772
    11  H   -0.132742
    12  H    0.052664
    13  H   -0.056292
    14  H    0.032289
    15  H   -0.002441
    16  H   -0.050297
    17  H   -0.181418
    18  H   -0.039155
    19  C    1.415103
    20  C    1.493466
    21  H   -0.214083
    22  H    0.142899
    23  H   -0.018370
    24  H   -0.011848
    25  H    0.051220
    26  H   -0.012267
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.468819
     2  C   -0.567467
     3  C   -0.140850
     4  C   -2.002800
     5  C    1.016137
     6  C    0.835996
     7  C    0.626511
     8  C   -3.082464
    19  C    1.325548
    20  C    1.520570
 Electronic spatial extent (au):  <R**2>=           1606.6345
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1425    Y=              0.3077    Z=              0.0723  Tot=              0.3467
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -63.5594   YY=            -63.4965   ZZ=            -64.7454
   XY=             -0.2983   XZ=             -0.9668   YZ=             -0.0080
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3744   YY=              0.4373   ZZ=             -0.8116
   XY=             -0.2983   XZ=             -0.9668   YZ=             -0.0080
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -5.0685  YYY=             -0.7475  ZZZ=             -0.4615  XYY=             -0.2812
  XXY=              1.0647  XXZ=              0.8557  XZZ=              1.3833  YZZ=              1.9966
  YYZ=             -1.7006  XYZ=             -0.0699
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1521.9346 YYYY=           -453.2889 ZZZZ=           -314.4657 XXXY=             -1.0037
 XXXZ=              4.3601 YYYX=              1.8444 YYYZ=             -1.0388 ZZZX=             -8.7707
 ZZZY=              1.3757 XXYY=           -327.6952 XXZZ=           -301.0270 YYZZ=           -131.2661
 XXYZ=             -0.5096 YYXZ=              0.7685 ZZXY=             -0.4137
 N-N= 5.487886299702D+02 E-N=-1.998540186975D+03  KE= 3.856328444613D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:46:03 2021, MaxMem=  5637144576 cpu:               6.0 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-5.60238550D-02 1.20008282D-01 3.16407782D-02
 Polarizability= 1.39876976D+02-4.60708650D+00 1.07771866D+02
                -2.74844967D+00 1.31010471D+00 9.63720762D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.4598    1.4590       -2.5952   -2.5921
 2     -1.4598   -1.4590       -0.6545   -0.6564      -17.5700  -17.5671
 3      2.5952    2.5921       23.3631   23.3603        0.6558    0.6564
 4      0.6545    0.6564        0.0000    0.0000        2.5955    2.5921
 5     -5.7931   -5.7932       -2.5955   -2.5921        1.4615    1.4590
 6     -0.6558   -0.6564       -1.4615   -1.4590       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -4.3771   -4.3771       -7.7763   -7.7763
 2      1.9692    1.9692       -0.0000    0.0000       -7.7763   -7.7763
 3      1.9692    1.9692       -4.3771   -4.3771       -0.0000    0.0000
 4     -4.3771   -4.3771       -1.9692   -1.9692      -52.7013  -52.7013
 5      7.7763    7.7763       70.0809   70.0809        1.9692    1.9692
 6    -17.3796  -17.3796       -7.7763   -7.7763        4.3771    4.3771
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0354    0.0000       -5.7752   -5.8361       10.4376   10.3684
 2      5.8671    5.8361        2.6977    2.6256       70.2323   70.2684
 3    -10.3681  -10.3684      -93.2660  -93.4412       -2.7461   -2.6256
 4     -2.6206   -2.6256        0.0472    0.0000      -10.3077  -10.3684
 5     23.1946   23.1729       10.4065   10.3684       -5.8963   -5.8361
 6      2.5596    2.6256        6.0456    5.8361       -0.0447    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0947    0.0000      -18.8725  -18.9532      -29.2080  -29.1913
 2     18.9477   18.9532       19.1939   19.0475        0.2799    0.4290
 3     29.1874   29.1913       27.5131   27.1629      -19.0341  -19.0475
 4    -19.0254  -19.0475       -0.0214    0.0000       29.2039   29.1913
 5    -27.5327  -27.5919      -29.2334  -29.1913      -18.9556  -18.9532
 6     19.0480   19.0475       19.0387   18.9532       -0.0109    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -30.9874  -30.9545       27.9054   28.1484       20.7225   20.7545
 2    -53.1982  -53.1505       14.0143   14.2988       20.8210   20.7545
 3    -53.1695  -53.1505       27.7643   28.1484       28.9187   28.8407
 4     13.7847   13.8496       22.2162   22.1959       20.0331   20.1547
 5      8.1827    8.0862       36.3123   36.1542      -22.2999  -22.1959
 6    -56.1234  -56.3089       -8.1788   -8.0862      -13.7854  -13.8496
 Full mass-weighted force constant matrix:
 Low frequencies ---    0.0003    0.0004    0.0005    4.8777    5.4116   13.4147
 Low frequencies ---   93.3402  116.1376  190.9249
 Diagonal vibrational polarizability:
        2.1315926       1.4869538       3.6037951
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     93.3381               116.1348               190.9233
 Red. masses --      2.7957                 2.2039                 1.2096
 Frc consts  --      0.0143                 0.0175                 0.0260
 IR Inten    --      0.2720                 0.1556                 0.2871
 RamAct Fr= 1--      1.4280                 1.1025                 0.5521
  Dep-P Fr= 1--      0.6710                 0.6035                 0.6862
  Dep-U Fr= 1--      0.8031                 0.7527                 0.8139
 Alpha2 Fr= 1--      0.0020                 0.0030                 0.0006
 Beta2  Fr= 1--      0.1911                 0.1383                 0.0749
 AlphaG Fr= 1--     -0.0052                -0.0073                -0.0156
 Gamma2 Fr= 1--      0.1775                 0.0842                -0.2251
 Delta2 Fr= 1--     -0.0223                 0.1967                 0.1124
 Raman1 Fr= 1--       5.712                  4.410                  2.208
 ROA1   Fr= 1--      16.323                 14.381                -18.010
 CID1   Fr= 1--       2.858                  3.261                 -8.155
 Raman2 Fr= 1--       2.294                  1.660                  0.899
 ROA2   Fr= 1--       4.437                  0.448                 -6.300
 CID2   Fr= 1--       1.935                  0.270                 -7.011
 Raman3 Fr= 1--       4.587                  3.319                  1.797
 ROA3   Fr= 1--      16.323                 14.381                -18.010
 CID3   Fr= 1--       3.558                  4.333                -10.020
 RC180  Fr= 1--       0.606                  0.505                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05   0.10    -0.00  -0.04   0.01    -0.00  -0.02  -0.02
     2   6    -0.03  -0.03   0.06     0.01  -0.02  -0.06    -0.01  -0.02  -0.00
     3   6    -0.02  -0.04   0.13    -0.02  -0.01  -0.01    -0.02  -0.01  -0.05
     4   6    -0.05   0.01  -0.02    -0.00  -0.02   0.04    -0.01   0.01  -0.04
     5   6    -0.11   0.07  -0.15    -0.06  -0.01  -0.16     0.00   0.03   0.04
     6   6    -0.01   0.01  -0.08     0.01  -0.04   0.21     0.02   0.00  -0.02
     7   6    -0.03  -0.07   0.08     0.06   0.02  -0.03     0.01  -0.06   0.05
     8   6     0.05   0.00   0.01     0.01   0.01  -0.01    -0.00  -0.01  -0.01
     9   1    -0.07  -0.06   0.08     0.01  -0.09   0.03     0.01  -0.00  -0.02
    10   1    -0.10  -0.02   0.01    -0.01  -0.05  -0.10    -0.02   0.00   0.01
    11   1    -0.03  -0.04   0.19    -0.07   0.01  -0.15    -0.03  -0.00  -0.05
    12   1    -0.11   0.06  -0.05    -0.09   0.02  -0.33    -0.09   0.06  -0.13
    13   1    -0.00   0.03  -0.32     0.02   0.12  -0.16    -0.06   0.17   0.23
    14   1    -0.27   0.19  -0.21    -0.15  -0.16  -0.15     0.16  -0.12   0.11
    15   1    -0.08   0.08  -0.18     0.14  -0.16   0.40    -0.01   0.02  -0.06
    16   1     0.14  -0.00  -0.13    -0.24   0.06   0.33     0.08   0.02  -0.04
    17   1    -0.12  -0.21   0.07     0.20   0.15  -0.02    -0.02  -0.17   0.03
    18   1     0.02  -0.06   0.21     0.00   0.01  -0.15     0.04  -0.05   0.15
    19   6     0.20   0.01   0.04     0.01   0.13   0.03    -0.00   0.06   0.02
    20   6     0.01   0.06  -0.12    -0.00  -0.05  -0.02     0.00   0.00   0.00
    21   1     0.23  -0.04   0.13     0.01   0.10   0.02    -0.04  -0.36  -0.14
    22   1     0.23   0.05  -0.02    -0.04   0.23  -0.02    -0.40   0.37   0.03
    23   1     0.27   0.04   0.01     0.07   0.17   0.14     0.43   0.25   0.19
    24   1    -0.11   0.04  -0.14    -0.01  -0.13  -0.04     0.02   0.05   0.02
    25   1     0.06   0.07  -0.14    -0.02  -0.05   0.06    -0.00  -0.00  -0.04
    26   1     0.04   0.10  -0.20     0.02  -0.01  -0.07    -0.00  -0.03   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    194.0390               207.9145               236.5019
 Red. masses --      1.7124                 1.1234                 1.2825
 Frc consts  --      0.0380                 0.0286                 0.0423
 IR Inten    --      0.2112                 0.2213                 0.2190
 RamAct Fr= 1--      0.2283                 0.1486                 0.1985
  Dep-P Fr= 1--      0.6681                 0.7260                 0.6844
  Dep-U Fr= 1--      0.8010                 0.8413                 0.8126
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0002
 Beta2  Fr= 1--      0.0305                 0.0208                 0.0269
 AlphaG Fr= 1--      0.0027                 0.0005                -0.0010
 Gamma2 Fr= 1--      0.4043                -0.0604                 0.1112
 Delta2 Fr= 1--     -0.0966                -0.0041                -0.0151
 Raman1 Fr= 1--       0.913                  0.594                  0.794
 ROA1   Fr= 1--      35.722                 -5.935                 10.198
 CID1   Fr= 1--      39.122                 -9.985                 12.846
 Raman2 Fr= 1--       0.366                  0.250                  0.323
 ROA2   Fr= 1--      10.476                 -1.417                  2.790
 CID2   Fr= 1--      28.644                 -5.669                  8.651
 Raman3 Fr= 1--       0.731                  0.500                  0.645
 ROA3   Fr= 1--      35.722                 -5.935                 10.198
 CID3   Fr= 1--      48.838                -11.869                 15.808
 RC180  Fr= 1--       0.602                  0.683                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.07  -0.01    -0.01  -0.01  -0.03     0.01  -0.03   0.01
     2   6    -0.01  -0.06  -0.03    -0.00  -0.01  -0.02    -0.01  -0.02  -0.03
     3   6    -0.03  -0.03   0.00    -0.00  -0.00   0.01     0.00  -0.03   0.06
     4   6    -0.00   0.00   0.01     0.01   0.00   0.03     0.00  -0.01   0.03
     5   6    -0.03   0.07   0.02    -0.00   0.01  -0.00    -0.03   0.04  -0.01
     6   6     0.02  -0.00   0.02     0.02   0.00   0.04    -0.00  -0.01   0.01
     7   6     0.03  -0.02  -0.03     0.03  -0.01   0.01     0.00   0.03  -0.06
     8   6     0.00  -0.03  -0.01    -0.00  -0.01  -0.02     0.01   0.00  -0.00
     9   1    -0.02  -0.08  -0.02    -0.02  -0.01  -0.03    -0.02  -0.06   0.01
    10   1     0.00  -0.08  -0.04     0.00  -0.01  -0.02     0.00  -0.05  -0.04
    11   1    -0.07  -0.03  -0.01    -0.01  -0.00   0.01    -0.01  -0.03   0.07
    12   1    -0.16   0.10  -0.14     0.14  -0.06   0.45    -0.10   0.06  -0.11
    13   1    -0.03   0.24   0.14     0.09  -0.33  -0.38     0.00   0.15   0.03
    14   1     0.06  -0.05   0.06    -0.26   0.43  -0.15    -0.02  -0.04   0.01
    15   1     0.05  -0.01   0.06     0.04  -0.00   0.06     0.02  -0.01   0.04
    16   1    -0.02   0.01   0.04    -0.01   0.01   0.05    -0.07  -0.03   0.02
    17   1     0.06   0.01  -0.03     0.05  -0.01   0.00     0.03   0.11  -0.05
    18   1     0.05  -0.02  -0.07     0.03  -0.01   0.01    -0.01   0.02  -0.15
    19   6    -0.01  -0.08  -0.03    -0.04  -0.02  -0.03     0.00  -0.06  -0.02
    20   6     0.04   0.17   0.06     0.01   0.03   0.02     0.02   0.07   0.02
    21   1    -0.01  -0.06  -0.03    -0.07  -0.24  -0.14    -0.00  -0.13  -0.05
    22   1     0.01  -0.13   0.00    -0.26   0.11   0.02    -0.05  -0.06   0.02
    23   1    -0.05  -0.10  -0.08     0.16   0.07   0.03     0.06  -0.04  -0.06
    24   1    -0.02  -0.12  -0.04     0.03   0.03   0.02     0.12   0.57   0.20
    25   1     0.34   0.28   0.40     0.06   0.05   0.04    -0.09   0.02  -0.46
    26   1    -0.16   0.55  -0.10    -0.03   0.07   0.04     0.05  -0.30   0.36
                      7                      8                      9
                      A                      A                      A
 Frequencies --    282.5026               311.4303               339.2352
 Red. masses --      1.7798                 2.6119                 2.5399
 Frc consts  --      0.0837                 0.1493                 0.1722
 IR Inten    --      1.0083                 1.2944                 0.1091
 RamAct Fr= 1--      0.5343                 1.8073                 2.2078
  Dep-P Fr= 1--      0.7448                 0.1329                 0.4065
  Dep-U Fr= 1--      0.8537                 0.2347                 0.5780
 Alpha2 Fr= 1--      0.0000                 0.0292                 0.0160
 Beta2  Fr= 1--      0.0760                 0.0707                 0.2127
 AlphaG Fr= 1--      0.0015                 0.0697                -0.0039
 Gamma2 Fr= 1--      0.4175                 0.4801                 0.6689
 Delta2 Fr= 1--      0.3816                 0.0356                -0.0778
 Raman1 Fr= 1--       2.137                  7.229                  8.831
 ROA1   Fr= 1--      52.294                 47.230                 61.722
 CID1   Fr= 1--      24.467                  6.533                  6.989
 Raman2 Fr= 1--       0.912                  0.848                  2.552
 ROA2   Fr= 1--       6.968                 11.238                 16.676
 CID2   Fr= 1--       7.638                 13.247                  6.534
 Raman3 Fr= 1--       1.825                  1.697                  5.105
 ROA3   Fr= 1--      52.294                 47.230                 61.722
 CID3   Fr= 1--      28.659                 27.838                 12.092
 RC180  Fr= 1--       0.707                 -0.531                  0.156
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.04     0.01  -0.03   0.00    -0.03   0.03  -0.03
     2   6    -0.02  -0.03  -0.03     0.02  -0.05   0.03    -0.02   0.02  -0.08
     3   6    -0.04  -0.03  -0.11    -0.08   0.07  -0.16    -0.04   0.07   0.08
     4   6    -0.01  -0.02  -0.06    -0.06   0.06  -0.10    -0.09   0.06   0.01
     5   6    -0.02   0.06   0.05     0.01  -0.04   0.05    -0.04  -0.08  -0.00
     6   6     0.02  -0.03   0.02    -0.07   0.05   0.02    -0.08   0.06   0.00
     7   6     0.02  -0.11   0.07    -0.02   0.05  -0.10    -0.03  -0.03  -0.01
     8   6    -0.00  -0.00  -0.03    -0.02  -0.07   0.08     0.04   0.03  -0.09
     9   1     0.04  -0.01  -0.04     0.10  -0.05   0.04    -0.13   0.01  -0.06
    10   1    -0.07   0.00  -0.03     0.12  -0.08   0.08    -0.09   0.03  -0.13
    11   1    -0.06  -0.03  -0.15    -0.14   0.08  -0.23    -0.03   0.06   0.17
    12   1    -0.07   0.03   0.24     0.15  -0.07   0.22     0.08  -0.07  -0.09
    13   1    -0.02  -0.01  -0.00    -0.10  -0.25   0.05    -0.10  -0.13   0.04
    14   1     0.01   0.26   0.03     0.09   0.08   0.04    -0.05  -0.20   0.02
    15   1     0.02  -0.06   0.03     0.03  -0.04   0.16    -0.03   0.08   0.04
    16   1     0.05   0.03   0.04    -0.23   0.14   0.11    -0.09   0.10   0.02
    17   1     0.02  -0.25   0.04    -0.02   0.21  -0.07    -0.03  -0.18  -0.04
    18   1     0.05  -0.09   0.21    -0.01   0.03  -0.26     0.01  -0.02   0.14
    19   6     0.01   0.12   0.01     0.19  -0.07   0.11     0.10  -0.01  -0.10
    20   6     0.03   0.04   0.06    -0.03   0.02   0.02     0.14  -0.08   0.16
    21   1     0.05   0.47   0.17     0.23  -0.18   0.26     0.13  -0.09  -0.03
    22   1     0.32  -0.00  -0.11     0.20   0.02   0.02     0.11   0.00  -0.11
    23   1    -0.29  -0.00   0.03     0.34  -0.01   0.09     0.18   0.02  -0.17
    24   1     0.14   0.24   0.14    -0.08   0.09   0.04     0.44  -0.17   0.16
    25   1     0.00   0.02  -0.10     0.04   0.04  -0.05     0.05  -0.11   0.35
    26   1    -0.02  -0.10   0.24    -0.05   0.03   0.04     0.02  -0.10   0.31
                     10                     11                     12
                      A                      A                      A
 Frequencies --    352.8372               411.0305               444.4611
 Red. masses --      2.2999                 2.1524                 3.3233
 Frc consts  --      0.1687                 0.2142                 0.3868
 IR Inten    --      0.7453                 1.4835                 0.1243
 RamAct Fr= 1--      1.6263                 1.9352                 4.5322
  Dep-P Fr= 1--      0.3113                 0.7439                 0.2294
  Dep-U Fr= 1--      0.4748                 0.8532                 0.3732
 Alpha2 Fr= 1--      0.0161                 0.0002                 0.0569
 Beta2  Fr= 1--      0.1287                 0.2752                 0.2819
 AlphaG Fr= 1--     -0.0344                 0.0008                 0.1078
 Gamma2 Fr= 1--     -0.4097                 1.5237                 0.4510
 Delta2 Fr= 1--     -0.0789                 0.5066                 0.2509
 Raman1 Fr= 1--       6.505                  7.741                 18.129
 ROA1   Fr= 1--     -41.854                162.482                 51.319
 CID1   Fr= 1--      -6.434                 20.991                  2.831
 Raman2 Fr= 1--       1.544                  3.302                  3.382
 ROA2   Fr= 1--      -9.201                 32.515                  8.816
 CID2   Fr= 1--      -5.957                  9.847                  2.606
 Raman3 Fr= 1--       3.089                  6.604                  6.765
 ROA3   Fr= 1--     -41.854                162.482                 51.319
 CID3   Fr= 1--     -13.550                 24.603                  7.586
 RC180  Fr= 1--      -0.050                  0.706                 -0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08  -0.02    -0.09   0.05  -0.07     0.02   0.06   0.04
     2   6    -0.01   0.07   0.04     0.03   0.00   0.04     0.16  -0.00   0.11
     3   6     0.04  -0.06  -0.06    -0.06  -0.01  -0.06    -0.07   0.06  -0.02
     4   6     0.03  -0.12   0.01     0.01  -0.05   0.18    -0.16  -0.04  -0.02
     5   6    -0.08   0.14   0.04    -0.04  -0.06  -0.02    -0.19  -0.07   0.06
     6   6    -0.03  -0.13   0.00     0.10  -0.02  -0.04    -0.02  -0.04  -0.02
     7   6    -0.09   0.04  -0.03     0.06   0.06   0.02     0.03  -0.01  -0.03
     8   6     0.02   0.06  -0.00    -0.06  -0.07  -0.04     0.16  -0.06   0.00
     9   1     0.05   0.15  -0.03    -0.10   0.12  -0.09    -0.05   0.11   0.00
    10   1    -0.01   0.10   0.05     0.09  -0.01   0.08     0.17   0.01   0.13
    11   1     0.13  -0.06  -0.15    -0.07   0.01  -0.23    -0.01   0.06  -0.10
    12   1    -0.37   0.13   0.16    -0.01  -0.04  -0.15    -0.17  -0.08   0.11
    13   1     0.04   0.30  -0.01     0.06   0.00  -0.11    -0.25  -0.12   0.09
    14   1    -0.04   0.34   0.02    -0.23  -0.18  -0.04    -0.12  -0.04   0.07
    15   1    -0.05  -0.18   0.00    -0.04   0.24  -0.31     0.03   0.06  -0.02
    16   1    -0.10  -0.18  -0.00     0.36  -0.27  -0.24    -0.01  -0.04  -0.03
    17   1    -0.07   0.17  -0.00     0.06   0.20   0.05    -0.03   0.17   0.01
    18   1    -0.21   0.04  -0.15     0.02   0.05  -0.12    -0.04  -0.02  -0.18
    19   6     0.08  -0.03  -0.03     0.06   0.02   0.00    -0.09   0.04   0.00
    20   6     0.04  -0.08   0.04    -0.04   0.02   0.05     0.19   0.02  -0.09
    21   1     0.09  -0.17  -0.01     0.10   0.04   0.15    -0.17   0.19  -0.26
    22   1     0.02  -0.02   0.01     0.14   0.13  -0.15    -0.20   0.06   0.07
    23   1     0.21   0.01  -0.10     0.12   0.05   0.07    -0.25  -0.00   0.22
    24   1     0.12  -0.24  -0.00     0.04   0.07   0.08     0.08   0.09  -0.08
    25   1    -0.07  -0.11   0.21     0.05   0.05   0.05     0.29   0.05  -0.19
    26   1     0.07  -0.06  -0.01    -0.16   0.05   0.15     0.19   0.05  -0.12
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.8321               522.6902               528.1664
 Red. masses --      2.6327                 3.3624                 2.5715
 Frc consts  --      0.3616                 0.5412                 0.4226
 IR Inten    --      0.5792                 1.4269                 1.4240
 RamAct Fr= 1--      2.7386                 3.2368                 1.9153
  Dep-P Fr= 1--      0.5167                 0.5454                 0.2053
  Dep-U Fr= 1--      0.6814                 0.7058                 0.3406
 Alpha2 Fr= 1--      0.0125                 0.0127                 0.0256
 Beta2  Fr= 1--      0.3110                 0.3808                 0.1087
 AlphaG Fr= 1--     -0.0169                -0.0024                 0.0389
 Gamma2 Fr= 1--      0.0826                -0.9986                 0.0185
 Delta2 Fr= 1--     -0.0058                -0.4707                -0.2083
 Raman1 Fr= 1--      10.954                 12.947                  7.661
 ROA1   Fr= 1--       7.744               -110.926                 -4.892
 CID1   Fr= 1--       0.707                 -8.568                 -0.639
 Raman2 Fr= 1--       3.732                  4.569                  1.305
 ROA2   Fr= 1--       2.028                -20.200                  2.109
 CID2   Fr= 1--       0.543                 -4.421                  1.617
 Raman3 Fr= 1--       7.464                  9.138                  2.610
 ROA3   Fr= 1--       7.744               -110.926                 -4.892
 CID3   Fr= 1--       1.038                -12.139                 -1.875
 RC180  Fr= 1--       0.363                  0.412                 -0.319
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02   0.06     0.10  -0.03  -0.07     0.01   0.13  -0.11
     2   6     0.06   0.07  -0.15    -0.01  -0.06  -0.03     0.13   0.05  -0.03
     3   6    -0.05   0.04  -0.06     0.02   0.14  -0.08     0.09   0.08   0.11
     4   6    -0.06  -0.03   0.06     0.08   0.05   0.26    -0.03  -0.02  -0.02
     5   6    -0.10  -0.05   0.03     0.05   0.05   0.00    -0.05   0.01   0.01
     6   6     0.07  -0.03  -0.02    -0.16   0.04  -0.01    -0.02  -0.05  -0.02
     7   6     0.10  -0.08  -0.05    -0.14  -0.12  -0.07     0.04  -0.11  -0.08
     8   6    -0.00   0.19   0.10     0.05  -0.04   0.03    -0.09  -0.11  -0.02
     9   1     0.18  -0.21   0.17     0.16  -0.12  -0.03    -0.04   0.03  -0.10
    10   1     0.04   0.06  -0.18     0.02   0.03   0.08     0.34   0.10   0.18
    11   1    -0.04   0.05  -0.23    -0.11   0.17  -0.27     0.31   0.03   0.37
    12   1    -0.08  -0.05   0.03     0.01   0.08  -0.14    -0.13   0.01  -0.01
    13   1    -0.10  -0.07   0.01     0.25   0.19  -0.16    -0.01   0.08   0.01
    14   1    -0.13  -0.07   0.03    -0.22  -0.04  -0.05    -0.04   0.03   0.00
    15   1     0.12   0.13  -0.05    -0.14   0.18  -0.05     0.14  -0.13   0.18
    16   1     0.13  -0.09  -0.07    -0.20  -0.21  -0.12    -0.21   0.07   0.10
    17   1     0.17  -0.32  -0.11    -0.23  -0.31  -0.09     0.01  -0.26  -0.11
    18   1     0.06  -0.05   0.20    -0.01  -0.11   0.13    -0.00  -0.09   0.10
    19   6     0.01  -0.05   0.04    -0.02  -0.01   0.06     0.01  -0.01   0.05
    20   6    -0.07   0.02   0.01     0.06  -0.01  -0.04    -0.11   0.02   0.02
    21   1     0.01  -0.22   0.03    -0.04   0.07  -0.01     0.05   0.03   0.21
    22   1    -0.02  -0.26   0.26    -0.03   0.00   0.06     0.10   0.11  -0.13
    23   1     0.05  -0.07  -0.29    -0.09  -0.03   0.14     0.06   0.03   0.15
    24   1    -0.13  -0.04  -0.01    -0.03   0.00  -0.04    -0.15   0.09   0.04
    25   1    -0.21  -0.03   0.01     0.09  -0.00  -0.09     0.03   0.07  -0.03
    26   1     0.09  -0.05  -0.09     0.11  -0.00  -0.09    -0.21   0.09   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    705.0335               737.0633               764.2289
 Red. masses --      3.2620                 3.0226                 2.2186
 Frc consts  --      0.9553                 0.9675                 0.7635
 IR Inten    --      0.6233                 1.6513                 2.6890
 RamAct Fr= 1--      7.6680                 8.2190                 6.5470
  Dep-P Fr= 1--      0.2923                 0.0212                 0.3003
  Dep-U Fr= 1--      0.4524                 0.0415                 0.4619
 Alpha2 Fr= 1--      0.0805                 0.1738                 0.0671
 Beta2  Fr= 1--      0.5781                 0.0569                 0.5040
 AlphaG Fr= 1--     -0.1536                -0.2895                 0.2542
 Gamma2 Fr= 1--     -0.0338                -1.1185                -3.6664
 Delta2 Fr= 1--      0.1990                -0.2457                -0.9391
 Raman1 Fr= 1--      30.672                 32.876                 26.188
 ROA1   Fr= 1--       3.123               -115.235               -382.021
 CID1   Fr= 1--       0.102                 -3.505                -14.588
 Raman2 Fr= 1--       6.937                  0.683                  6.048
 ROA2   Fr= 1--      -2.403                -24.878                -80.480
 CID2   Fr= 1--      -0.346                -36.432                -13.308
 Raman3 Fr= 1--      13.875                  1.366                 12.095
 ROA3   Fr= 1--       3.123               -115.235               -382.021
 CID3   Fr= 1--       0.225                -84.378                -31.584
 RC180  Fr= 1--      -0.095                 -0.917                 -0.076
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.17  -0.04    -0.16   0.06   0.19     0.04  -0.05   0.06
     2   6    -0.13   0.02  -0.14     0.11   0.05   0.09     0.06   0.10  -0.01
     3   6    -0.03  -0.05  -0.00    -0.12  -0.03   0.01     0.00  -0.13  -0.05
     4   6     0.02  -0.03  -0.01     0.01   0.03   0.03     0.05  -0.07   0.03
     5   6     0.05   0.01  -0.01     0.16   0.07  -0.04    -0.05  -0.04   0.02
     6   6     0.04  -0.01  -0.01     0.03  -0.10  -0.06    -0.05   0.12  -0.05
     7   6     0.02   0.04  -0.02    -0.00  -0.09  -0.12     0.01   0.17   0.00
     8   6     0.03  -0.04   0.03     0.00  -0.00  -0.01    -0.02  -0.07  -0.03
     9   1    -0.27   0.29  -0.10    -0.25   0.13   0.14     0.09  -0.06   0.08
    10   1    -0.23  -0.05  -0.29     0.03  -0.06  -0.06     0.11  -0.01  -0.08
    11   1     0.11  -0.07   0.07    -0.25   0.03  -0.37     0.01  -0.13  -0.13
    12   1     0.04   0.02  -0.03     0.28   0.07  -0.04    -0.15  -0.04   0.01
    13   1     0.07   0.03  -0.03     0.12   0.01  -0.02     0.02   0.03  -0.02
    14   1     0.03   0.01  -0.02     0.17   0.03  -0.03    -0.11  -0.03   0.00
    15   1     0.04  -0.08   0.02     0.23  -0.14   0.16     0.05  -0.06   0.14
    16   1    -0.02   0.02   0.02    -0.30  -0.12   0.03    -0.35   0.12   0.04
    17   1     0.09  -0.18  -0.08    -0.17  -0.22  -0.12    -0.16  -0.38  -0.08
    18   1     0.02   0.06   0.18    -0.08  -0.07   0.08     0.16   0.22   0.56
    19   6    -0.02  -0.08   0.24     0.01   0.03  -0.08    -0.01  -0.01  -0.02
    20   6     0.16  -0.02  -0.05    -0.02   0.00   0.01    -0.00  -0.02  -0.01
    21   1    -0.02  -0.07   0.24    -0.01   0.01  -0.14     0.00   0.01   0.00
    22   1    -0.03  -0.10   0.26    -0.02   0.01  -0.04     0.01   0.05  -0.09
    23   1    -0.05  -0.09   0.28    -0.01   0.02  -0.11    -0.00   0.00   0.06
    24   1     0.09   0.03  -0.04     0.04   0.04   0.03    -0.00   0.05   0.01
    25   1     0.27   0.02  -0.12     0.05   0.02   0.03     0.13   0.03  -0.03
    26   1     0.17   0.02  -0.08    -0.11   0.03   0.08    -0.11   0.06   0.04
                     19                     20                     21
                      A                      A                      A
 Frequencies --    788.5656               844.2706               882.3203
 Red. masses --      2.1845                 2.1540                 1.6054
 Frc consts  --      0.8003                 0.9046                 0.7364
 IR Inten    --      3.0379                 7.8695                 7.1651
 RamAct Fr= 1--      4.9564                 4.1381                 7.9962
  Dep-P Fr= 1--      0.6137                 0.1915                 0.3218
  Dep-U Fr= 1--      0.7606                 0.3214                 0.4869
 Alpha2 Fr= 1--      0.0124                 0.0575                 0.0767
 Beta2  Fr= 1--      0.6283                 0.2217                 0.6490
 AlphaG Fr= 1--     -0.1237                -0.2164                 0.2593
 Gamma2 Fr= 1--      3.0278                 1.3609                -2.3344
 Delta2 Fr= 1--      0.2494                -0.4509                -0.7638
 Raman1 Fr= 1--      19.826                 16.553                 31.985
 ROA1   Fr= 1--     298.653                116.219               -248.544
 CID1   Fr= 1--      15.064                  7.021                 -7.771
 Raman2 Fr= 1--       7.540                  2.660                  7.787
 ROA2   Fr= 1--      70.673                 36.269                -49.914
 CID2   Fr= 1--       9.373                 13.634                 -6.410
 Raman3 Fr= 1--      15.080                  5.320                 15.575
 ROA3   Fr= 1--     298.653                116.219               -248.544
 CID3   Fr= 1--      19.805                 21.844                -15.958
 RC180  Fr= 1--       0.521                 -0.357                 -0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.01  -0.13    -0.03  -0.09  -0.10     0.02   0.02   0.12
     2   6     0.00  -0.11   0.14     0.13   0.11  -0.03    -0.03   0.01  -0.02
     3   6    -0.04  -0.10  -0.05    -0.14  -0.06  -0.03    -0.03   0.06  -0.15
     4   6     0.02  -0.01   0.04    -0.03   0.04   0.00     0.00   0.00   0.03
     5   6    -0.02  -0.02   0.03     0.07   0.04  -0.01     0.01  -0.01   0.03
     6   6     0.02   0.08  -0.06    -0.02  -0.07   0.02     0.01  -0.03  -0.01
     7   6     0.05  -0.03  -0.05    -0.05   0.03   0.06     0.01  -0.02   0.01
     8   6     0.03   0.13   0.05    -0.03   0.04  -0.01     0.01  -0.05   0.01
     9   1    -0.04   0.27  -0.19     0.11  -0.39   0.02     0.16   0.10   0.15
    10   1     0.02  -0.07   0.19     0.32   0.21   0.20    -0.20  -0.05  -0.20
    11   1     0.03  -0.15   0.37    -0.15  -0.11   0.52     0.28  -0.05   0.74
    12   1    -0.01   0.00  -0.10     0.20   0.06  -0.11    -0.04   0.02  -0.11
    13   1     0.09   0.03  -0.09     0.08  -0.01  -0.06     0.16   0.08  -0.11
    14   1    -0.21  -0.11  -0.01    -0.03  -0.06  -0.02    -0.20  -0.05  -0.02
    15   1     0.23  -0.06   0.22    -0.12  -0.09  -0.06     0.01  -0.07   0.01
    16   1    -0.29   0.21   0.10     0.08  -0.06  -0.00     0.01   0.04   0.02
    17   1    -0.16  -0.05  -0.03     0.02   0.05   0.05     0.04   0.05   0.01
    18   1     0.25  -0.05  -0.03    -0.27   0.05   0.06    -0.02  -0.02  -0.06
    19   6     0.01   0.03  -0.00    -0.01  -0.00   0.06     0.02   0.01  -0.04
    20   6     0.01   0.03   0.01     0.07   0.00  -0.03    -0.02  -0.03   0.00
    21   1    -0.00  -0.00  -0.04    -0.00  -0.06   0.10    -0.00   0.02  -0.12
    22   1    -0.01  -0.06   0.10     0.01  -0.06   0.09    -0.02   0.00  -0.01
    23   1    -0.00   0.01  -0.11     0.02  -0.00  -0.04    -0.01  -0.00  -0.02
    24   1    -0.02  -0.09  -0.03     0.11  -0.00  -0.03    -0.05   0.06   0.03
    25   1    -0.25  -0.05   0.05     0.05  -0.00  -0.01     0.13   0.03  -0.03
    26   1     0.22  -0.09  -0.10     0.06  -0.01  -0.01    -0.14   0.06   0.05
                     22                     23                     24
                      A                      A                      A
 Frequencies --    919.3963               972.4625               973.0075
 Red. masses --      2.4308                 1.6328                 1.2734
 Frc consts  --      1.2106                 0.9098                 0.7103
 IR Inten    --      0.6923                 4.1666                 0.2996
 RamAct Fr= 1--      8.5307                 3.6232                 3.0619
  Dep-P Fr= 1--      0.4605                 0.6113                 0.2533
  Dep-U Fr= 1--      0.6306                 0.7587                 0.4042
 Alpha2 Fr= 1--      0.0501                 0.0092                 0.0360
 Beta2  Fr= 1--      0.8966                 0.4582                 0.2063
 AlphaG Fr= 1--     -0.0597                -0.0153                 0.0126
 Gamma2 Fr= 1--      0.0371                 1.6536                -1.0801
 Delta2 Fr= 1--      0.9525                 0.0675                -0.3854
 Raman1 Fr= 1--      34.123                 14.493                 12.248
 ROA1   Fr= 1--      34.044                160.909               -116.025
 CID1   Fr= 1--       0.998                 11.103                 -9.473
 Raman2 Fr= 1--      10.759                  5.498                  2.475
 ROA2   Fr= 1--      -6.729                 39.147                -22.841
 CID2   Fr= 1--      -0.625                  7.120                 -9.228
 Raman3 Fr= 1--      21.519                 10.996                  4.950
 ROA3   Fr= 1--      34.044                160.909               -116.025
 CID3   Fr= 1--       1.582                 14.633                -23.439
 RC180  Fr= 1--       0.261                  0.517                 -0.192
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.06  -0.00     0.05  -0.05  -0.05    -0.05   0.03  -0.00
     2   6    -0.11   0.06   0.04     0.04  -0.01  -0.01    -0.02  -0.01  -0.01
     3   6     0.01   0.04   0.01    -0.02   0.03   0.00     0.01   0.00   0.00
     4   6     0.02   0.07   0.02    -0.01   0.03   0.00     0.01  -0.02  -0.00
     5   6    -0.09   0.03   0.04    -0.01   0.03  -0.01     0.00  -0.02   0.01
     6   6     0.23  -0.07  -0.07    -0.02  -0.09   0.01     0.03   0.03  -0.03
     7   6    -0.09   0.01  -0.03     0.02   0.08   0.01    -0.02  -0.01   0.02
     8   6    -0.04  -0.02  -0.04     0.09   0.00  -0.02     0.02   0.00  -0.03
     9   1     0.07   0.03  -0.04    -0.21   0.36  -0.25     0.10  -0.33   0.14
    10   1    -0.15   0.12   0.07    -0.10  -0.17  -0.27     0.07   0.10   0.16
    11   1    -0.12   0.06  -0.04    -0.13   0.03   0.12     0.08   0.01  -0.09
    12   1     0.27   0.04  -0.08     0.16   0.03  -0.01    -0.07  -0.01  -0.00
    13   1    -0.20  -0.22   0.00    -0.11  -0.10   0.03     0.06   0.05  -0.02
    14   1    -0.19  -0.23   0.05     0.03  -0.05   0.02    -0.04   0.01  -0.01
    15   1     0.44  -0.20   0.21    -0.12  -0.12  -0.07     0.08  -0.03   0.06
    16   1    -0.12   0.09   0.12    -0.06  -0.22  -0.05    -0.02   0.12   0.04
    17   1    -0.24  -0.07  -0.03     0.01  -0.13  -0.03    -0.05   0.06   0.03
    18   1    -0.25   0.03   0.07    -0.03   0.11   0.23     0.01  -0.03  -0.07
    19   6    -0.03  -0.04   0.02     0.07  -0.03   0.03     0.08  -0.01   0.04
    20   6     0.04   0.00  -0.03    -0.10   0.04   0.03    -0.05   0.01  -0.07
    21   1     0.01   0.00   0.16    -0.04   0.15  -0.31    -0.05   0.12  -0.37
    22   1     0.03   0.09  -0.14    -0.13   0.01   0.14    -0.18  -0.06   0.28
    23   1     0.03   0.00   0.13    -0.15  -0.09   0.27    -0.19  -0.10   0.20
    24   1     0.12  -0.04  -0.03    -0.06  -0.05   0.01     0.42  -0.02  -0.04
    25   1    -0.01  -0.02   0.03    -0.26  -0.02   0.09    -0.10   0.01   0.22
    26   1     0.03  -0.02   0.00    -0.04  -0.04   0.03    -0.28  -0.04   0.24
                     25                     26                     27
                      A                      A                      A
 Frequencies --    978.3766               990.1921              1008.2133
 Red. masses --      2.1150                 2.0713                 1.4900
 Frc consts  --      1.1928                 1.1965                 0.8924
 IR Inten    --      0.1249                 2.9968                 4.8211
 RamAct Fr= 1--     23.3147                 3.4730                 6.7318
  Dep-P Fr= 1--      0.6466                 0.7276                 0.2039
  Dep-U Fr= 1--      0.7854                 0.8423                 0.3387
 Alpha2 Fr= 1--      0.0434                 0.0013                 0.0905
 Beta2  Fr= 1--      3.0519                 0.4876                 0.3800
 AlphaG Fr= 1--     -0.1200                -0.0336                 0.1076
 Gamma2 Fr= 1--     -2.9794                -2.9490                -1.2084
 Delta2 Fr= 1--     -0.1061                -1.6591                -0.0576
 Raman1 Fr= 1--      93.259                 13.892                 26.927
 ROA1   Fr= 1--    -289.422               -336.198               -117.852
 CID1   Fr= 1--      -3.103                -24.201                 -4.377
 Raman2 Fr= 1--      36.623                  5.851                  4.560
 ROA2   Fr= 1--     -70.658                -57.504                -28.542
 CID2   Fr= 1--      -1.929                 -9.828                 -6.259
 Raman3 Fr= 1--      73.245                 11.702                  9.120
 ROA3   Fr= 1--    -289.422               -336.198               -117.852
 CID3   Fr= 1--      -3.951                -28.730                -12.922
 RC180  Fr= 1--       0.571                  0.685                 -0.323
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.04   0.04    -0.02  -0.09  -0.01    -0.01   0.02  -0.06
     2   6     0.07   0.12   0.03     0.06  -0.04   0.06     0.06   0.00  -0.03
     3   6    -0.01  -0.11  -0.01     0.04   0.14   0.01     0.02  -0.05   0.04
     4   6     0.01   0.01   0.00    -0.00  -0.01   0.00     0.02   0.02  -0.01
     5   6    -0.00  -0.01   0.00     0.02  -0.04   0.01    -0.03   0.04   0.05
     6   6    -0.04   0.09   0.05    -0.04  -0.07  -0.09    -0.01   0.01  -0.05
     7   6    -0.01  -0.13  -0.05     0.08   0.05   0.07    -0.03  -0.02   0.07
     8   6    -0.02   0.01  -0.09    -0.06   0.05  -0.06     0.05  -0.01   0.01
     9   1    -0.06   0.51  -0.16    -0.12  -0.05  -0.05     0.06  -0.01  -0.03
    10   1    -0.27   0.12  -0.22    -0.24  -0.16  -0.28    -0.22   0.05  -0.21
    11   1    -0.12  -0.10   0.03    -0.03   0.16  -0.07    -0.06  -0.02  -0.23
    12   1    -0.03  -0.01   0.00    -0.22  -0.04   0.02     0.19   0.05  -0.11
    13   1     0.01   0.01  -0.00     0.15   0.15  -0.03    -0.01  -0.09  -0.07
    14   1    -0.01  -0.00  -0.00    -0.03   0.09  -0.02    -0.23  -0.18   0.03
    15   1    -0.00   0.30  -0.02     0.00  -0.26   0.04    -0.00  -0.16   0.04
    16   1     0.16   0.10  -0.01    -0.25  -0.01   0.00    -0.06   0.19   0.05
    17   1     0.06   0.14  -0.00    -0.07   0.09   0.10    -0.06   0.20   0.11
    18   1    -0.08  -0.14  -0.26     0.14   0.04   0.00    -0.09  -0.04  -0.16
    19   6    -0.03  -0.03   0.09    -0.07   0.02   0.07     0.03   0.05   0.01
    20   6    -0.03   0.01  -0.06     0.02   0.00  -0.07    -0.04  -0.08   0.04
    21   1    -0.01  -0.06   0.18     0.01  -0.19   0.33    -0.01  -0.08  -0.12
    22   1     0.01  -0.01   0.02     0.09  -0.11   0.07    -0.02  -0.15   0.24
    23   1     0.02  -0.01   0.07     0.10   0.05  -0.26    -0.02   0.00  -0.23
    24   1     0.27  -0.02  -0.04     0.31   0.01  -0.04    -0.30   0.17   0.10
    25   1    -0.08   0.00   0.13     0.01   0.01   0.09     0.34   0.05  -0.16
    26   1    -0.21  -0.01   0.15    -0.15  -0.00   0.13    -0.20   0.15  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.7123              1043.8992              1076.7060
 Red. masses --      1.4043                 1.5494                 1.4637
 Frc consts  --      0.8910                 0.9948                 0.9998
 IR Inten    --      2.3209                 3.7899                 0.0668
 RamAct Fr= 1--      1.8514                 3.8826                 2.5850
  Dep-P Fr= 1--      0.7500                 0.4939                 0.1791
  Dep-U Fr= 1--      0.8571                 0.6612                 0.3038
 Alpha2 Fr= 1--      0.0000                 0.0197                 0.0371
 Beta2  Fr= 1--      0.2645                 0.4279                 0.1309
 AlphaG Fr= 1--      0.0006                 0.0501                -0.0898
 Gamma2 Fr= 1--     -0.6288                -0.5579                 1.3422
 Delta2 Fr= 1--      0.8732                -0.2014                 0.4225
 Raman1 Fr= 1--       7.406                 15.531                 10.340
 ROA1   Fr= 1--     -32.419                -60.008                142.374
 CID1   Fr= 1--      -4.377                 -3.864                 13.769
 Raman2 Fr= 1--       3.174                  5.135                  1.571
 ROA2   Fr= 1--     -22.076                -11.779                 28.834
 CID2   Fr= 1--      -6.955                 -2.294                 18.359
 Raman3 Fr= 1--       6.348                 10.269                  3.141
 ROA3   Fr= 1--     -32.419                -60.008                142.374
 CID3   Fr= 1--      -5.107                 -5.843                 45.326
 RC180  Fr= 1--       0.714                  0.322                 -0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.00     0.01   0.05   0.05    -0.02   0.02  -0.03
     2   6     0.02   0.05  -0.04    -0.01  -0.00  -0.03     0.03   0.03  -0.00
     3   6    -0.04   0.02   0.03     0.02  -0.04  -0.00    -0.02  -0.01  -0.02
     4   6    -0.03  -0.01  -0.03     0.00   0.01  -0.02     0.02  -0.02   0.10
     5   6     0.06  -0.07   0.05    -0.02   0.09   0.06    -0.02   0.01  -0.10
     6   6     0.02   0.01  -0.06    -0.10  -0.03  -0.04    -0.01   0.02  -0.06
     7   6    -0.01  -0.02   0.04     0.09  -0.02   0.04     0.03  -0.03   0.06
     8   6     0.03  -0.01  -0.00    -0.02   0.00  -0.00     0.02   0.01  -0.02
     9   1    -0.12  -0.04  -0.04     0.12  -0.05   0.12     0.16  -0.28   0.11
    10   1    -0.05   0.05  -0.09     0.07   0.00   0.05    -0.32   0.11  -0.21
    11   1    -0.17   0.05  -0.14     0.10  -0.03  -0.17     0.03  -0.03   0.12
    12   1    -0.31  -0.04  -0.07     0.40   0.12  -0.19     0.03  -0.04   0.21
    13   1     0.39   0.27  -0.14    -0.03  -0.16  -0.11    -0.31  -0.10   0.21
    14   1    -0.21   0.08  -0.05    -0.30  -0.28   0.05     0.42   0.11   0.00
    15   1     0.09  -0.08   0.07    -0.22  -0.22  -0.06     0.10  -0.03   0.08
    16   1     0.03   0.27   0.07    -0.09   0.01  -0.02    -0.21   0.01  -0.00
    17   1     0.03   0.12   0.06     0.17   0.09   0.05    -0.11   0.18   0.12
    18   1    -0.18  -0.02  -0.08     0.23  -0.05  -0.11     0.09  -0.06  -0.15
    19   6     0.01  -0.06  -0.02    -0.03  -0.05  -0.02    -0.00  -0.06  -0.00
    20   6    -0.00   0.04   0.06     0.01   0.05  -0.02    -0.01   0.01   0.03
    21   1     0.00   0.13  -0.03     0.01   0.05   0.13     0.00   0.09   0.04
    22   1    -0.02   0.14  -0.18     0.04   0.13  -0.23    -0.00   0.11  -0.16
    23   1    -0.02  -0.03   0.29     0.04   0.01   0.19     0.01  -0.02   0.23
    24   1    -0.21  -0.07   0.00     0.16  -0.10  -0.06    -0.12  -0.01   0.01
    25   1    -0.19  -0.03  -0.04    -0.21  -0.03   0.09    -0.07  -0.01  -0.03
    26   1     0.24  -0.05  -0.13     0.12  -0.09   0.00     0.10  -0.01  -0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1089.2258              1116.7563              1158.8464
 Red. masses --      1.8128                 1.6061                 1.7977
 Frc consts  --      1.2672                 1.1801                 1.4224
 IR Inten    --      2.5339                 0.7901                 3.8988
 RamAct Fr= 1--      7.0345                 3.6513                 5.7770
  Dep-P Fr= 1--      0.3882                 0.6365                 0.7304
  Dep-U Fr= 1--      0.5593                 0.7779                 0.8442
 Alpha2 Fr= 1--      0.0543                 0.0075                 0.0019
 Beta2  Fr= 1--      0.6558                 0.4734                 0.8128
 AlphaG Fr= 1--     -0.0316                -0.0181                -0.0145
 Gamma2 Fr= 1--      0.5216                -3.7280                 2.5934
 Delta2 Fr= 1--      0.7012                -0.8081                -0.0104
 Raman1 Fr= 1--      28.138                 14.605                 23.108
 ROA1   Fr= 1--      72.518               -383.753                248.631
 CID1   Fr= 1--       2.577                -26.275                 10.759
 Raman2 Fr= 1--       7.869                  5.681                  9.754
 ROA2   Fr= 1--       6.909                -83.008                 62.325
 CID2   Fr= 1--       0.878                -14.613                  6.390
 Raman3 Fr= 1--      15.738                 11.361                 19.508
 ROA3   Fr= 1--      72.518               -383.753                248.631
 CID3   Fr= 1--       4.608                -33.778                 12.745
 RC180  Fr= 1--       0.119                  0.556                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10  -0.02   0.02     0.02   0.03  -0.08    -0.02  -0.02   0.01
     2   6    -0.13   0.06  -0.05    -0.04   0.02   0.10     0.02  -0.06  -0.04
     3   6    -0.07  -0.00   0.02    -0.02  -0.01   0.06     0.00   0.00  -0.01
     4   6    -0.02   0.00   0.05    -0.07   0.00  -0.06     0.03   0.01   0.02
     5   6     0.02  -0.02  -0.03     0.04  -0.01   0.03    -0.01  -0.01  -0.01
     6   6    -0.04  -0.04  -0.08    -0.01  -0.04   0.05    -0.00   0.00  -0.02
     7   6     0.12  -0.01   0.03     0.06   0.02  -0.06    -0.03   0.00   0.02
     8   6    -0.01  -0.01  -0.00    -0.00   0.05   0.02     0.05   0.18   0.08
     9   1    -0.03   0.34  -0.11     0.48  -0.15   0.13    -0.15   0.17  -0.08
    10   1     0.24   0.32   0.48    -0.41   0.12  -0.10     0.27  -0.14   0.07
    11   1    -0.29   0.02   0.03    -0.24   0.01   0.01    -0.01   0.00   0.01
    12   1    -0.08  -0.03   0.07    -0.03   0.01  -0.08    -0.03  -0.02   0.04
    13   1     0.01   0.06   0.05     0.17   0.08  -0.08    -0.05  -0.01   0.03
    14   1     0.15   0.10  -0.02    -0.10   0.03  -0.02     0.04   0.00   0.00
    15   1     0.02  -0.17   0.04     0.02   0.15  -0.03    -0.04  -0.11  -0.00
    16   1    -0.22  -0.03  -0.02    -0.04  -0.27  -0.06     0.07   0.17   0.04
    17   1     0.12   0.09   0.05    -0.01  -0.11  -0.08     0.07  -0.00   0.00
    18   1     0.24  -0.04  -0.12     0.25   0.02   0.07    -0.14   0.01   0.02
    19   6     0.02   0.03   0.01     0.01  -0.04  -0.02    -0.03  -0.09  -0.04
    20   6    -0.00  -0.04   0.01    -0.00  -0.06  -0.01    -0.03  -0.09  -0.05
    21   1    -0.01  -0.03  -0.10     0.00   0.10  -0.01     0.02   0.18   0.15
    22   1    -0.03  -0.07   0.14    -0.02   0.11  -0.13     0.01   0.22  -0.34
    23   1    -0.04  -0.01  -0.07    -0.00  -0.02   0.20     0.09   0.01   0.31
    24   1    -0.07   0.05   0.03    -0.01   0.11   0.04     0.11   0.20   0.06
    25   1     0.17   0.02  -0.06     0.23   0.03  -0.03     0.36   0.05   0.02
    26   1    -0.08   0.06   0.00    -0.16   0.09   0.03    -0.37   0.14   0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1172.0732              1184.0870              1211.8555
 Red. masses --      1.5207                 2.6336                 1.6678
 Frc consts  --      1.2309                 2.1756                 1.4431
 IR Inten    --      1.8467                 1.8526                 0.9489
 RamAct Fr= 1--      3.5271                 3.1310                 3.2344
  Dep-P Fr= 1--      0.3315                 0.7445                 0.4304
  Dep-U Fr= 1--      0.4980                 0.8535                 0.6018
 Alpha2 Fr= 1--      0.0328                 0.0003                 0.0214
 Beta2  Fr= 1--      0.2927                 0.4454                 0.3244
 AlphaG Fr= 1--      0.1259                -0.0002                 0.0894
 Gamma2 Fr= 1--     -0.2558                -0.6836                 0.7936
 Delta2 Fr= 1--      0.5678                 0.5676                -0.3467
 Raman1 Fr= 1--      14.108                 12.524                 12.938
 ROA1   Fr= 1--      -6.383                -47.468                 65.095
 CID1   Fr= 1--      -0.452                 -3.790                  5.031
 Raman2 Fr= 1--       3.513                  5.345                  3.893
 ROA2   Fr= 1--     -10.680                -20.948                 21.821
 CID2   Fr= 1--      -3.041                 -3.919                  5.605
 Raman3 Fr= 1--       7.025                 10.689                  7.786
 ROA3   Fr= 1--      -6.383                -47.468                 65.095
 CID3   Fr= 1--      -0.909                 -4.441                  8.361
 RC180  Fr= 1--      -0.004                  0.707                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.10  -0.02    -0.11  -0.06   0.02     0.00  -0.05  -0.04
     2   6     0.02  -0.06  -0.03    -0.00   0.10   0.08    -0.03   0.05   0.09
     3   6    -0.04  -0.04   0.04     0.07   0.01  -0.04     0.02   0.03   0.01
     4   6     0.06   0.08   0.02     0.21   0.15  -0.04    -0.05  -0.07   0.06
     5   6    -0.02  -0.05  -0.02    -0.10  -0.06   0.02     0.01   0.04  -0.03
     6   6     0.01  -0.02  -0.02    -0.03  -0.02   0.03    -0.06  -0.01  -0.06
     7   6    -0.03   0.01   0.01     0.04  -0.05  -0.07     0.05  -0.00  -0.03
     8   6    -0.00  -0.06   0.05    -0.08   0.03  -0.01    -0.12  -0.00   0.04
     9   1     0.53   0.21   0.14    -0.24  -0.17   0.00     0.15   0.07  -0.02
    10   1     0.08  -0.24  -0.15    -0.09   0.14   0.05    -0.03  -0.23  -0.16
    11   1    -0.46   0.00   0.07    -0.26   0.04   0.09     0.13   0.02  -0.10
    12   1    -0.20  -0.06   0.09    -0.30  -0.08   0.09     0.17   0.03   0.02
    13   1    -0.03   0.04   0.06    -0.13  -0.06   0.05    -0.04  -0.01   0.02
    14   1     0.05   0.06  -0.02    -0.13  -0.05   0.01     0.11  -0.01   0.01
    15   1    -0.12  -0.24  -0.04    -0.35  -0.34  -0.14     0.06   0.04   0.04
    16   1     0.07   0.14   0.04     0.09  -0.06  -0.03     0.21   0.46   0.09
    17   1     0.11  -0.03  -0.02     0.23  -0.08  -0.10     0.51  -0.09  -0.11
    18   1    -0.18   0.02   0.03     0.14  -0.06  -0.06    -0.35   0.04   0.09
    19   6    -0.02   0.03  -0.02     0.05  -0.02   0.00     0.05   0.01  -0.01
    20   6    -0.01   0.04  -0.04     0.05  -0.02   0.03     0.05  -0.01  -0.01
    21   1     0.00  -0.05   0.03    -0.01   0.09  -0.18    -0.01   0.06  -0.20
    22   1     0.05  -0.02  -0.02    -0.11   0.03   0.07    -0.09   0.02   0.08
    23   1     0.03   0.03  -0.10    -0.10  -0.06   0.12    -0.10  -0.04   0.02
    24   1     0.19  -0.06  -0.05    -0.14   0.02   0.03     0.03   0.00  -0.01
    25   1    -0.11  -0.00   0.10     0.11  -0.00  -0.11     0.09   0.00  -0.05
    26   1     0.02  -0.08   0.05     0.10   0.04  -0.09     0.07   0.01  -0.05
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1244.1193              1275.2351              1328.4859
 Red. masses --      1.4790                 1.5543                 2.0395
 Frc consts  --      1.3488                 1.4893                 2.1207
 IR Inten    --      6.5155                 3.5535                 0.3664
 RamAct Fr= 1--      3.8697                11.9796                 5.9042
  Dep-P Fr= 1--      0.5123                 0.2990                 0.5697
  Dep-U Fr= 1--      0.6775                 0.4603                 0.7259
 Alpha2 Fr= 1--      0.0180                 0.1232                 0.0201
 Beta2  Fr= 1--      0.4370                 0.9191                 0.7143
 AlphaG Fr= 1--     -0.0483                -0.1331                 0.0128
 Gamma2 Fr= 1--      0.5028                -6.9693                 1.2232
 Delta2 Fr= 1--      0.7703                -1.7604                 0.5399
 Raman1 Fr= 1--      15.479                 47.918                 23.617
 ROA1   Fr= 1--      72.921               -725.387                134.706
 CID1   Fr= 1--       4.711                -15.138                  5.704
 Raman2 Fr= 1--       5.244                 11.029                  8.572
 ROA2   Fr= 1--       5.905               -153.180                 25.038
 CID2   Fr= 1--       1.126                -13.889                  2.921
 Raman3 Fr= 1--      10.487                 22.058                 17.144
 ROA3   Fr= 1--      72.921               -725.387                134.706
 CID3   Fr= 1--       6.953                -32.885                  7.858
 RC180  Fr= 1--       0.355                 -0.079                  0.452
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.00     0.02  -0.02  -0.00     0.03  -0.00  -0.05
     2   6    -0.01  -0.01   0.05     0.06   0.02  -0.04     0.02   0.04  -0.03
     3   6    -0.05   0.01  -0.00    -0.03   0.02   0.03    -0.01  -0.01  -0.00
     4   6    -0.02  -0.03   0.05    -0.05  -0.05   0.02     0.01  -0.01  -0.01
     5   6     0.01   0.00  -0.02     0.02   0.00  -0.01     0.00   0.00   0.00
     6   6     0.02  -0.01  -0.00     0.07   0.02   0.04     0.01   0.02  -0.00
     7   6    -0.04   0.03  -0.07    -0.09  -0.01  -0.01     0.01  -0.01   0.00
     8   6     0.13  -0.02  -0.04    -0.13   0.02   0.03    -0.02  -0.09   0.26
     9   1    -0.16  -0.24  -0.01     0.09   0.24  -0.04    -0.47  -0.13  -0.21
    10   1    -0.21   0.23   0.13     0.03  -0.07  -0.14    -0.37   0.32  -0.07
    11   1     0.02   0.00  -0.01     0.11   0.02  -0.05    -0.03  -0.01   0.02
    12   1     0.04  -0.00   0.03     0.05   0.01   0.00    -0.01   0.00  -0.01
    13   1     0.00   0.02   0.01     0.03   0.03  -0.01    -0.01  -0.02  -0.00
    14   1     0.07   0.01  -0.00     0.06   0.02  -0.00    -0.01  -0.01  -0.00
    15   1    -0.26  -0.38  -0.09    -0.26  -0.38  -0.09    -0.02  -0.02  -0.01
    16   1     0.31   0.40   0.11     0.16   0.11   0.05    -0.12  -0.11  -0.03
    17   1     0.27  -0.15  -0.15    -0.33   0.05   0.04     0.10   0.06   0.01
    18   1     0.23   0.02   0.05     0.61  -0.08  -0.10    -0.06   0.00   0.03
    19   6    -0.05   0.01   0.02     0.04  -0.01  -0.01    -0.00   0.02  -0.05
    20   6    -0.04   0.00   0.01     0.04  -0.00  -0.00    -0.01   0.03  -0.08
    21   1     0.00  -0.09   0.17    -0.01   0.08  -0.16    -0.04   0.06  -0.20
    22   1     0.09  -0.05  -0.02    -0.09   0.07   0.02     0.10   0.10  -0.21
    23   1     0.08   0.05  -0.06    -0.08  -0.05   0.02     0.08   0.03  -0.23
    24   1    -0.07   0.01   0.01     0.05  -0.01  -0.01     0.26  -0.03  -0.06
    25   1    -0.08  -0.01   0.05     0.07   0.00  -0.05     0.05   0.05   0.20
    26   1    -0.09   0.01   0.06     0.08  -0.00  -0.05     0.00  -0.17   0.12
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1336.5626              1347.6587              1382.5335
 Red. masses --      1.2482                 1.3658                 1.7038
 Frc consts  --      1.3137                 1.4615                 1.9188
 IR Inten    --      2.3356                 1.8784                 0.5617
 RamAct Fr= 1--      6.8826                 6.1686                 3.3647
  Dep-P Fr= 1--      0.5605                 0.2043                 0.7345
  Dep-U Fr= 1--      0.7184                 0.3393                 0.8469
 Alpha2 Fr= 1--      0.0248                 0.0828                 0.0009
 Beta2  Fr= 1--      0.8240                 0.3488                 0.4750
 AlphaG Fr= 1--     -0.0283                 0.0197                -0.0038
 Gamma2 Fr= 1--     -0.8537                 0.0129                 1.4344
 Delta2 Fr= 1--     -0.1307                 0.4071                 1.0560
 Raman1 Fr= 1--      27.530                 24.674                 13.459
 ROA1   Fr= 1--     -86.133                 14.261                171.489
 CID1   Fr= 1--      -3.129                  0.578                 12.742
 Raman2 Fr= 1--       9.889                  4.186                  5.700
 ROA2   Fr= 1--     -19.442                 -2.948                 25.977
 CID2   Fr= 1--      -1.966                 -0.704                  4.558
 Raman3 Fr= 1--      19.777                  8.372                 11.399
 ROA3   Fr= 1--     -86.133                 14.261                171.489
 CID3   Fr= 1--      -4.355                  1.703                 15.044
 RC180  Fr= 1--       0.437                 -0.321                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.05  -0.00     0.05   0.03  -0.01    -0.12  -0.07   0.03
     2   6     0.02  -0.04  -0.01    -0.00   0.02   0.04     0.07  -0.05  -0.05
     3   6    -0.05  -0.02   0.03    -0.03  -0.01   0.00     0.08   0.07  -0.00
     4   6    -0.02   0.08   0.02    -0.02  -0.01  -0.01     0.01  -0.11  -0.02
     5   6     0.01  -0.03  -0.01     0.01  -0.00   0.00    -0.02   0.03   0.01
     6   6     0.03   0.04   0.01     0.07   0.08  -0.02     0.02   0.04  -0.01
     7   6     0.04  -0.00  -0.02    -0.10  -0.03   0.04    -0.07   0.02   0.01
     8   6    -0.00   0.00  -0.01    -0.01   0.01  -0.02     0.01  -0.01  -0.00
     9   1     0.25   0.22   0.02    -0.11  -0.13  -0.03     0.30   0.37   0.08
    10   1    -0.18   0.26   0.12     0.13  -0.28  -0.13    -0.20   0.48   0.23
    11   1     0.61  -0.06  -0.22     0.02  -0.01   0.01    -0.36   0.10   0.11
    12   1    -0.07  -0.02   0.01    -0.03   0.00  -0.03     0.11   0.03  -0.02
    13   1     0.02   0.07   0.05     0.01  -0.01  -0.00     0.03  -0.05  -0.11
    14   1    -0.01   0.09  -0.03    -0.02   0.03  -0.01     0.09  -0.08   0.05
    15   1    -0.21  -0.26  -0.08    -0.02  -0.11  -0.02     0.06   0.08   0.01
    16   1    -0.16  -0.17  -0.04    -0.39  -0.38  -0.11    -0.11  -0.03  -0.01
    17   1     0.07  -0.03  -0.03     0.68   0.01  -0.06     0.36   0.01  -0.05
    18   1    -0.34   0.03   0.06     0.14  -0.06  -0.06     0.06   0.02   0.06
    19   6    -0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00  -0.01
    20   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.01   0.01   0.00
    21   1     0.00   0.00   0.01     0.01  -0.03   0.02     0.01   0.01   0.03
    22   1    -0.00   0.00  -0.00    -0.00  -0.03   0.04    -0.01  -0.01   0.01
    23   1    -0.00  -0.00   0.02    -0.02  -0.00   0.05     0.01   0.01   0.03
    24   1    -0.01   0.01   0.00    -0.02   0.00   0.01    -0.03  -0.00  -0.00
    25   1    -0.02  -0.01   0.01     0.01  -0.00  -0.03    -0.08  -0.01   0.02
    26   1     0.01   0.01  -0.01    -0.02   0.03  -0.01     0.02  -0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1399.1822              1410.8195              1414.1050
 Red. masses --      1.6354                 1.3228                 1.2926
 Frc consts  --      1.8863                 1.5512                 1.5229
 IR Inten    --      0.7477                 6.3080                 1.4291
 RamAct Fr= 1--      9.2652                 0.4475                12.9935
  Dep-P Fr= 1--      0.2794                 0.5314                 0.4090
  Dep-U Fr= 1--      0.4368                 0.6940                 0.5805
 Alpha2 Fr= 1--      0.1010                 0.0019                 0.0932
 Beta2  Fr= 1--      0.6745                 0.0518                 1.2572
 AlphaG Fr= 1--     -0.2517                -0.0078                 0.0934
 Gamma2 Fr= 1--     -2.0815                 0.0533                 1.1738
 Delta2 Fr= 1--      0.1194                 0.0092                 0.4551
 Raman1 Fr= 1--      37.061                  1.790                 51.974
 ROA1   Fr= 1--    -196.002                  5.414                127.248
 CID1   Fr= 1--      -5.289                  3.024                  2.448
 Raman2 Fr= 1--       8.094                  0.621                 15.086
 ROA2   Fr= 1--     -50.910                  1.206                 24.531
 CID2   Fr= 1--      -6.290                  1.942                  1.626
 Raman3 Fr= 1--      16.188                  1.242                 30.172
 ROA3   Fr= 1--    -196.002                  5.414                127.248
 CID3   Fr= 1--     -12.108                  4.358                  4.217
 RC180  Fr= 1--      -0.126                  0.388                  0.161
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.01
     2   6     0.03   0.01  -0.02    -0.00  -0.01   0.01    -0.01   0.01   0.00
     3   6    -0.02  -0.04   0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     4   6     0.03   0.12   0.00     0.00   0.00  -0.00     0.02   0.04  -0.00
     5   6     0.01  -0.03  -0.01    -0.02  -0.01   0.00    -0.13  -0.06   0.03
     6   6    -0.05  -0.14  -0.03     0.00   0.00  -0.00    -0.00  -0.01   0.00
     7   6    -0.10   0.04   0.03    -0.01   0.00  -0.00    -0.00  -0.00   0.00
     8   6     0.01  -0.01   0.02     0.02   0.02  -0.05     0.01  -0.00   0.01
     9   1     0.07   0.12  -0.01     0.04  -0.01   0.04    -0.03  -0.03  -0.01
    10   1    -0.03   0.09   0.01     0.03  -0.00   0.04     0.02  -0.04  -0.03
    11   1     0.37  -0.06  -0.12    -0.01   0.00   0.01     0.04  -0.02  -0.02
    12   1    -0.09  -0.02   0.01     0.06  -0.00  -0.02     0.49  -0.02  -0.16
    13   1    -0.05   0.04   0.12     0.05   0.04  -0.04     0.38   0.32  -0.32
    14   1    -0.11   0.08  -0.05     0.07   0.03   0.02     0.51   0.25   0.12
    15   1     0.36   0.40   0.10    -0.00  -0.00  -0.00    -0.00   0.03  -0.02
    16   1     0.11   0.15   0.06    -0.01  -0.00  -0.00    -0.02   0.00   0.01
    17   1     0.30  -0.02  -0.03     0.06   0.00  -0.01    -0.00   0.00   0.00
    18   1     0.52  -0.01  -0.03    -0.02   0.01   0.03     0.02  -0.01  -0.02
    19   6    -0.00   0.00  -0.01    -0.01  -0.03   0.10    -0.00   0.01  -0.02
    20   6    -0.01   0.01  -0.00    -0.10   0.00   0.05     0.00  -0.00  -0.01
    21   1     0.00  -0.00   0.00    -0.13   0.11  -0.35     0.02  -0.02   0.06
    22   1     0.02  -0.02  -0.00     0.14   0.23  -0.28    -0.01  -0.05   0.04
    23   1     0.02   0.01   0.01     0.09  -0.03  -0.36    -0.00   0.01   0.07
    24   1     0.04  -0.01  -0.01     0.38  -0.08   0.04    -0.02   0.01  -0.00
    25   1     0.02   0.02   0.02     0.34   0.13  -0.19    -0.01  -0.00   0.03
    26   1     0.04  -0.04  -0.00     0.30  -0.10  -0.27    -0.02  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1423.7442              1438.7864              1477.7291
 Red. masses --      1.3657                 2.2210                 1.0573
 Frc consts  --      1.6311                 2.7089                 1.3603
 IR Inten    --      1.5655                 1.9144                 7.6843
 RamAct Fr= 1--     10.4983                48.8772                11.3910
  Dep-P Fr= 1--      0.1386                 0.2324                 0.4966
  Dep-U Fr= 1--      0.2435                 0.3771                 0.6636
 Alpha2 Fr= 1--      0.1670                 0.6083                 0.0571
 Beta2  Fr= 1--      0.4261                 3.0720                 1.2599
 AlphaG Fr= 1--     -0.0932                -0.4990                -0.1887
 Gamma2 Fr= 1--     -0.7283                -3.4289                -1.2236
 Delta2 Fr= 1--     -0.1326                 0.6774                 0.0421
 Raman1 Fr= 1--      41.993                195.509                 45.564
 ROA1   Fr= 1--     -74.157               -307.495               -116.120
 CID1   Fr= 1--      -1.766                 -1.573                 -2.549
 Raman2 Fr= 1--       5.113                 36.864                 15.119
 ROA2   Fr= 1--     -16.418                -87.713                -29.704
 CID2   Fr= 1--      -3.211                 -2.379                 -1.965
 Raman3 Fr= 1--      10.226                 73.729                 30.238
 ROA3   Fr= 1--     -74.157               -307.495               -116.120
 CID3   Fr= 1--      -7.252                 -4.171                 -3.840
 RC180  Fr= 1--      -0.513                 -0.246                  0.327
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02    -0.13  -0.12  -0.06     0.01   0.01   0.00
     2   6    -0.01   0.05   0.01    -0.08   0.17   0.02     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.00     0.04   0.04   0.01    -0.01  -0.00   0.00
     4   6    -0.01  -0.02  -0.00    -0.02  -0.02  -0.00     0.00   0.01  -0.02
     5   6     0.01   0.01  -0.00     0.00   0.01  -0.01    -0.02   0.00  -0.04
     6   6     0.01   0.01   0.01     0.01   0.03   0.01    -0.03   0.02  -0.00
     7   6     0.01  -0.01  -0.00     0.01  -0.05  -0.01    -0.01  -0.00  -0.00
     8   6     0.04  -0.02   0.03     0.15  -0.05   0.05    -0.01   0.00  -0.00
     9   1     0.03   0.04  -0.01     0.34   0.17   0.03    -0.02  -0.01  -0.00
    10   1     0.04  -0.04  -0.04     0.34  -0.31  -0.12    -0.02   0.02   0.01
    11   1     0.01   0.02  -0.00     0.09   0.03  -0.04     0.01  -0.00   0.01
    12   1    -0.02   0.00   0.01     0.01  -0.00   0.03     0.21  -0.10   0.57
    13   1    -0.02  -0.02   0.01    -0.02   0.01   0.02     0.14   0.41   0.08
    14   1    -0.03  -0.03  -0.00    -0.02  -0.01  -0.01    -0.13  -0.38   0.01
    15   1    -0.04  -0.05  -0.00    -0.02  -0.14   0.06     0.16  -0.16   0.25
    16   1     0.01  -0.02  -0.01     0.06  -0.09  -0.06     0.23  -0.19  -0.17
    17   1    -0.06  -0.00   0.01    -0.08   0.12   0.04     0.04   0.08   0.01
    18   1     0.01  -0.02  -0.04     0.16  -0.06  -0.02     0.01   0.01   0.09
    19   6    -0.01   0.03  -0.10    -0.06  -0.00   0.03     0.00  -0.00  -0.00
    20   6    -0.11   0.01   0.02     0.00   0.01  -0.02     0.00   0.00   0.00
    21   1     0.12  -0.12   0.35    -0.11   0.03  -0.22     0.01   0.05   0.03
    22   1    -0.06  -0.29   0.27     0.30  -0.05  -0.19    -0.04   0.00   0.03
    23   1    -0.02   0.07   0.38     0.26   0.10  -0.12     0.02   0.00  -0.01
    24   1     0.39  -0.08   0.02    -0.17   0.03  -0.02     0.00  -0.03  -0.01
    25   1     0.36   0.16  -0.07    -0.13  -0.03   0.16     0.01   0.00  -0.03
    26   1     0.30  -0.19  -0.20    -0.13  -0.04   0.17    -0.01   0.00   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1483.6237              1485.1644              1490.0952
 Red. masses --      1.0627                 1.0633                 1.0656
 Frc consts  --      1.3782                 1.3818                 1.3941
 IR Inten    --      0.5260                 0.3244                 6.1161
 RamAct Fr= 1--     12.6421                11.6152                29.2383
  Dep-P Fr= 1--      0.5871                 0.5914                 0.4548
  Dep-U Fr= 1--      0.7399                 0.7433                 0.6252
 Alpha2 Fr= 1--      0.0384                 0.0343                 0.1758
 Beta2  Fr= 1--      1.5589                 1.4389                 3.0467
 AlphaG Fr= 1--      0.0489                -0.1003                -0.0788
 Gamma2 Fr= 1--      1.8683                -3.6955                -3.3086
 Delta2 Fr= 1--      1.4209                 0.8977                -1.1517
 Raman1 Fr= 1--      50.568                 46.461                116.953
 ROA1   Fr= 1--     224.823               -326.040               -354.475
 CID1   Fr= 1--       4.446                 -7.018                 -3.031
 Raman2 Fr= 1--      18.707                 17.267                 36.560
 ROA2   Fr= 1--      33.472                -95.873                -70.192
 CID2   Fr= 1--       1.789                 -5.553                 -1.920
 Raman3 Fr= 1--      37.414                 34.533                 73.121
 ROA3   Fr= 1--     224.823               -326.040               -354.475
 CID3   Fr= 1--       6.009                 -9.441                 -4.848
 RC180  Fr= 1--       0.480                  0.487                  0.250
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.00   0.00
     2   6    -0.00   0.01   0.00     0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.04  -0.00  -0.01
     4   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.02   0.00
     5   6    -0.00   0.01  -0.02     0.00  -0.01   0.01     0.01  -0.05  -0.01
     6   6     0.04  -0.03   0.01    -0.04   0.03  -0.01     0.01   0.01   0.00
     7   6     0.01   0.01   0.02    -0.00   0.01   0.00     0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00   0.00  -0.00
     9   1    -0.00   0.00  -0.00    -0.02  -0.00  -0.00    -0.01  -0.00   0.01
    10   1     0.02  -0.01  -0.01    -0.02   0.03   0.01     0.00   0.01   0.01
    11   1    -0.00  -0.00   0.00    -0.01   0.00   0.01    -0.11   0.00   0.04
    12   1     0.05  -0.05   0.31    -0.01   0.03  -0.19     0.41  -0.02  -0.12
    13   1     0.08   0.17   0.00    -0.05  -0.09   0.01    -0.17   0.34   0.48
    14   1    -0.04  -0.25   0.02     0.01   0.16  -0.02    -0.39   0.43  -0.18
    15   1    -0.18   0.22  -0.30     0.18  -0.21   0.30    -0.05  -0.00  -0.04
    16   1    -0.30   0.17   0.19     0.30  -0.17  -0.19    -0.05   0.01   0.02
    17   1    -0.04  -0.22  -0.03     0.00  -0.03  -0.01    -0.01  -0.08  -0.01
    18   1    -0.02  -0.02  -0.23    -0.01   0.01  -0.03    -0.03  -0.01  -0.08
    19   6    -0.00   0.02   0.01    -0.00   0.02   0.00     0.01   0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.01    -0.00   0.00  -0.00
    21   1    -0.03  -0.26  -0.13    -0.03  -0.27  -0.12     0.01  -0.04   0.03
    22   1     0.19  -0.02  -0.11     0.19  -0.05  -0.09    -0.04   0.06  -0.02
    23   1    -0.13  -0.03   0.11    -0.13  -0.03   0.14    -0.08  -0.04  -0.03
    24   1     0.05   0.29   0.10     0.11   0.42   0.15    -0.04  -0.03  -0.01
    25   1    -0.08  -0.03   0.20    -0.14  -0.06   0.26     0.05   0.02   0.03
    26   1     0.08   0.08  -0.18     0.11   0.15  -0.29     0.02  -0.06   0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1491.4465              1497.5912              1508.8378
 Red. masses --      1.0598                 1.0673                 1.1151
 Frc consts  --      1.3889                 1.4103                 1.4957
 IR Inten    --      4.0990                11.5976                 3.2981
 RamAct Fr= 1--      1.0927                 1.5310                 5.1230
  Dep-P Fr= 1--      0.6864                 0.5101                 0.6649
  Dep-U Fr= 1--      0.8140                 0.6756                 0.7987
 Alpha2 Fr= 1--      0.0012                 0.0072                 0.0078
 Beta2  Fr= 1--      0.1483                 0.1724                 0.6820
 AlphaG Fr= 1--      0.0025                -0.0056                -0.0012
 Gamma2 Fr= 1--      0.9360                 0.1470                 0.3348
 Delta2 Fr= 1--      0.4092                 0.3728                -0.4253
 Raman1 Fr= 1--       4.371                  6.124                 20.492
 ROA1   Fr= 1--     102.948                 26.043                 18.526
 CID1   Fr= 1--      23.553                  4.253                  0.904
 Raman2 Fr= 1--       1.779                  2.069                  8.184
 ROA2   Fr= 1--      19.190                  0.546                 11.436
 CID2   Fr= 1--      10.787                  0.264                  1.397
 Raman3 Fr= 1--       3.558                  4.137                 16.367
 ROA3   Fr= 1--     102.948                 26.043                 18.526
 CID3   Fr= 1--      28.934                  6.295                  1.132
 RC180  Fr= 1--       0.628                  0.351                  0.597
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.02  -0.02  -0.01
     2   6     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.01   0.04   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.01  -0.01   0.00     0.01  -0.01   0.00     0.00   0.01   0.00
     7   6     0.00  -0.01  -0.02    -0.00  -0.04  -0.04     0.00   0.01   0.02
     8   6    -0.03  -0.00   0.01     0.00  -0.02  -0.02     0.05  -0.04   0.04
     9   1    -0.05  -0.01  -0.01     0.00  -0.02   0.01     0.02   0.01  -0.01
    10   1    -0.04   0.03   0.00     0.03  -0.03  -0.00     0.03  -0.02  -0.02
    11   1    -0.03  -0.00   0.01    -0.00   0.00  -0.00     0.02   0.00  -0.01
    12   1     0.07  -0.01  -0.01     0.02  -0.01   0.02    -0.00   0.00  -0.00
    13   1    -0.03   0.07   0.09    -0.01   0.03   0.03     0.00  -0.00  -0.01
    14   1    -0.07   0.07  -0.03    -0.03   0.01  -0.01     0.01  -0.00   0.00
    15   1    -0.05   0.05  -0.08    -0.07   0.08  -0.12     0.01  -0.01   0.02
    16   1    -0.07   0.05   0.05    -0.11   0.08   0.07     0.01  -0.02  -0.01
    17   1     0.00   0.20   0.03     0.03   0.44   0.07    -0.01  -0.21  -0.03
    18   1     0.01   0.02   0.21     0.06   0.02   0.44    -0.00  -0.02  -0.23
    19   6    -0.03   0.00  -0.01     0.01  -0.02  -0.00     0.02  -0.02  -0.01
    20   6     0.02  -0.01   0.03    -0.01  -0.02  -0.02    -0.00  -0.02   0.02
    21   1    -0.08   0.13  -0.20     0.05   0.24   0.16     0.09   0.18   0.28
    22   1     0.25  -0.32   0.08    -0.24   0.07   0.11    -0.36   0.24   0.04
    23   1     0.35   0.17   0.21     0.07  -0.00  -0.16    -0.08  -0.08  -0.30
    24   1     0.25  -0.05   0.02    -0.02   0.39   0.12     0.31   0.07   0.07
    25   1    -0.24  -0.11  -0.33    -0.02  -0.00   0.36    -0.30  -0.12  -0.22
    26   1    -0.14   0.36  -0.18     0.16  -0.03  -0.18    -0.12   0.38  -0.24
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1514.2534              1723.9781              2996.1003
 Red. masses --      1.0706                 6.8206                 1.0683
 Frc consts  --      1.4464                11.9437                 5.6501
 IR Inten    --      1.7239                 1.8564                28.2786
 RamAct Fr= 1--      4.3847               135.9514               130.9266
  Dep-P Fr= 1--      0.4277                 0.1971                 0.2619
  Dep-U Fr= 1--      0.5992                 0.3292                 0.4151
 Alpha2 Fr= 1--      0.0293                 1.8607                 1.5003
 Beta2  Fr= 1--      0.4379                 7.4599                 9.0590
 AlphaG Fr= 1--     -0.0804                -0.3032                -3.1151
 Gamma2 Fr= 1--      2.3281                -5.1239               -23.8212
 Delta2 Fr= 1--      0.0690                 2.4119                 6.4092
 Raman1 Fr= 1--      17.539                543.806                523.707
 ROA1   Fr= 1--     225.701               -414.715              -2081.743
 CID1   Fr= 1--      12.869                 -0.763                 -3.975
 Raman2 Fr= 1--       5.255                 89.518                108.708
 ROA2   Fr= 1--      55.322               -142.269               -622.983
 CID2   Fr= 1--      10.528                 -1.589                 -5.731
 Raman3 Fr= 1--      10.509                179.037                217.416
 ROA3   Fr= 1--     225.701               -414.715              -2081.743
 CID3   Fr= 1--      21.477                 -2.316                 -9.575
 RC180  Fr= 1--       0.198                 -0.342                 -0.170
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01     0.05  -0.01  -0.03    -0.00  -0.00  -0.00
     2   6     0.01  -0.01   0.00    -0.02   0.01   0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.42   0.20   0.16     0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00     0.43  -0.27  -0.16    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00    -0.05   0.01   0.02     0.01  -0.00  -0.00
     6   6    -0.00   0.01   0.00    -0.04   0.02   0.02    -0.03   0.04  -0.05
     7   6     0.00   0.03   0.03     0.02  -0.01   0.00     0.00  -0.01   0.01
     8   6    -0.03  -0.01  -0.02     0.02   0.00   0.00    -0.00   0.00   0.00
     9   1    -0.01  -0.00   0.00     0.17   0.07  -0.01    -0.00  -0.00   0.00
    10   1    -0.02   0.01   0.00    -0.00  -0.06  -0.04    -0.00   0.00   0.00
    11   1    -0.01   0.00   0.00     0.36   0.19  -0.09    -0.00  -0.01  -0.00
    12   1     0.01   0.00  -0.01     0.20   0.01  -0.06     0.00  -0.06  -0.01
    13   1    -0.00  -0.00   0.00    -0.16  -0.02   0.16    -0.07   0.04  -0.06
    14   1    -0.00   0.01  -0.00    -0.21   0.03  -0.04    -0.02   0.02   0.09
    15   1     0.02  -0.03   0.04     0.04   0.30  -0.05     0.16  -0.07  -0.19
    16   1     0.03  -0.03  -0.03    -0.04   0.09   0.06     0.23  -0.39   0.83
    17   1    -0.02  -0.37  -0.06    -0.02  -0.01   0.01    -0.01   0.02  -0.08
    18   1    -0.05  -0.02  -0.35    -0.06  -0.01  -0.02     0.00   0.08  -0.01
    19   6    -0.02  -0.03  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    20   6     0.00  -0.01  -0.02    -0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1    -0.04   0.50  -0.06    -0.01  -0.01  -0.02    -0.00  -0.00   0.00
    22   1    -0.04  -0.20   0.20     0.02   0.01  -0.02     0.00   0.00   0.00
    23   1     0.47   0.17  -0.03    -0.00  -0.00  -0.01     0.00  -0.00   0.00
    24   1    -0.10   0.18   0.04    -0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1     0.06   0.02   0.25     0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.12  -0.11  -0.03    -0.01  -0.00   0.01     0.00   0.00   0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6737              3014.3738              3022.6815
 Red. masses --      1.0392                 1.0359                 1.0396
 Frc consts  --      5.5426                 5.5457                 5.5962
 IR Inten    --     50.6205                37.8153                49.3614
 RamAct Fr= 1--    340.5370               149.0887               301.0384
  Dep-P Fr= 1--      0.0611                 0.0633                 0.0382
  Dep-U Fr= 1--      0.1151                 0.1191                 0.0735
 Alpha2 Fr= 1--      6.5510                 2.8526                 6.1160
 Beta2  Fr= 1--      6.5346                 2.9601                 3.6886
 AlphaG Fr= 1--     -1.1016                -0.1730                -0.0389
 Gamma2 Fr= 1--    -11.2631                -0.9678                 3.7520
 Delta2 Fr= 1--      1.1480                -0.1410                 0.2348
 Raman1 Fr= 1--    1362.148                596.355               1204.154
 ROA1   Fr= 1--   -1044.518                -97.423                367.708
 CID1   Fr= 1--      -0.767                 -0.163                  0.305
 Raman2 Fr= 1--      78.415                 35.522                 44.263
 ROA2   Fr= 1--    -279.498                -22.099                 88.170
 CID2   Fr= 1--      -3.564                 -0.622                  1.992
 Raman3 Fr= 1--     156.830                 71.043                 88.527
 ROA3   Fr= 1--   -1044.518                -97.423                367.708
 CID3   Fr= 1--      -6.660                 -1.371                  4.154
 RC180  Fr= 1--      -0.770                 -0.762                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.00  -0.02    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.01
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    11   1     0.00   0.01   0.00    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    12   1     0.01  -0.36  -0.06    -0.00   0.01   0.00    -0.00   0.01   0.00
    13   1    -0.45   0.27  -0.37     0.01  -0.01   0.01     0.01  -0.01   0.01
    14   1    -0.14   0.11   0.62     0.00  -0.00  -0.02     0.00  -0.00  -0.02
    15   1     0.02  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.01
    16   1    -0.04   0.07  -0.13     0.00  -0.01   0.01     0.00  -0.00   0.01
    17   1     0.00  -0.01   0.03     0.00  -0.00   0.00     0.01  -0.02   0.07
    18   1    -0.00  -0.01   0.00     0.00   0.01  -0.00     0.00   0.05  -0.01
    19   6     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.02  -0.01   0.05
    20   6     0.00  -0.00  -0.00     0.05  -0.01  -0.00     0.01  -0.00  -0.00
    21   1     0.01   0.00  -0.00    -0.09  -0.00   0.02     0.31   0.01  -0.08
    22   1    -0.01  -0.01  -0.01     0.10   0.12   0.12    -0.33  -0.42  -0.43
    23   1    -0.00   0.01  -0.00     0.07  -0.17   0.01    -0.21   0.54  -0.05
    24   1    -0.00  -0.01   0.02    -0.02  -0.14   0.41    -0.01  -0.04   0.13
    25   1    -0.01   0.02  -0.00    -0.18   0.57  -0.02    -0.05   0.16  -0.01
    26   1    -0.02  -0.01  -0.01    -0.37  -0.35  -0.35    -0.11  -0.10  -0.10
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3034.9566              3046.2586              3048.0533
 Red. masses --      1.0751                 1.0973                 1.0766
 Frc consts  --      5.8345                 5.9993                 5.8931
 IR Inten    --     22.1002                16.3300                69.9743
 RamAct Fr= 1--     80.8154               115.7218               221.2793
  Dep-P Fr= 1--      0.6125                 0.5746                 0.1326
  Dep-U Fr= 1--      0.7597                 0.7298                 0.2342
 Alpha2 Fr= 1--      0.2041                 0.3821                 3.5737
 Beta2  Fr= 1--     10.2327                14.0756                 8.6375
 AlphaG Fr= 1--     -0.4134                -1.1401                 0.5537
 Gamma2 Fr= 1--     19.4281                22.5334               -54.0961
 Delta2 Fr= 1--     11.0946                10.5471               -30.0125
 Raman1 Fr= 1--     323.262                462.887                885.117
 ROA1   Fr= 1--    2220.120               2500.715              -6153.627
 CID1   Fr= 1--       6.868                  5.402                 -6.952
 Raman2 Fr= 1--     122.792                168.907                103.650
 ROA2   Fr= 1--     377.517                456.425              -1058.206
 CID2   Fr= 1--       3.074                  2.702                -10.209
 Raman3 Fr= 1--     245.585                337.813                207.301
 ROA3   Fr= 1--    2220.120               2500.715              -6153.627
 CID3   Fr= 1--       9.040                  7.403                -29.685
 RC180  Fr= 1--       0.519                  0.460                 -0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.03   0.01  -0.08    -0.01   0.01  -0.02
     6   6    -0.03   0.01   0.05    -0.01   0.00   0.01     0.03  -0.01  -0.05
     7   6    -0.01  -0.03  -0.04     0.00   0.01   0.01    -0.01  -0.04  -0.03
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1    -0.01  -0.01   0.01     0.01   0.01  -0.01    -0.02  -0.03   0.03
    11   1    -0.00  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1     0.00   0.04   0.00    -0.01   0.01  -0.02    -0.00  -0.03  -0.01
    13   1     0.03  -0.02   0.03     0.50  -0.29   0.37     0.11  -0.07   0.08
    14   1     0.00   0.00  -0.01    -0.17   0.12   0.64    -0.05   0.03   0.19
    15   1     0.45  -0.23  -0.47     0.10  -0.05  -0.10    -0.42   0.21   0.43
    16   1    -0.05   0.07  -0.13    -0.01   0.01  -0.03     0.04  -0.07   0.12
    17   1     0.07  -0.12   0.53    -0.02   0.03  -0.12     0.05  -0.09   0.38
    18   1     0.03   0.41  -0.06    -0.01  -0.16   0.02     0.05   0.59  -0.08
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.03   0.04   0.04    -0.01  -0.01  -0.01     0.02   0.03   0.03
    23   1     0.02  -0.05   0.01    -0.00   0.01  -0.00     0.01  -0.02   0.00
    24   1     0.00   0.01  -0.02    -0.00  -0.00   0.01     0.00   0.01  -0.02
    25   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    26   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.00   0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3065.2262              3068.9233              3070.0313
 Red. masses --      1.1013                 1.1008                 1.1031
 Frc consts  --      6.0965                 6.1082                 6.1259
 IR Inten    --      7.4328                35.1202                38.2896
 RamAct Fr= 1--     39.2566               180.7409                45.9126
  Dep-P Fr= 1--      0.7364                 0.7384                 0.7466
  Dep-U Fr= 1--      0.8482                 0.8495                 0.8549
 Alpha2 Fr= 1--      0.0091                 0.0356                 0.0027
 Beta2  Fr= 1--      5.5494                25.5910                 6.5417
 AlphaG Fr= 1--     -0.0139                -0.3320                 0.0085
 Gamma2 Fr= 1--    -16.7035               -18.8698                42.7335
 Delta2 Fr= 1--     -7.7077               -13.8781                27.0674
 Raman1 Fr= 1--     157.026                722.964                183.650
 ROA1   Fr= 1--   -1850.179              -2255.605               4968.571
 CID1   Fr= 1--     -11.783                 -3.120                 27.055
 Raman2 Fr= 1--      66.593                307.092                 78.501
 ROA2   Fr= 1--    -339.222               -341.851                809.064
 CID2   Fr= 1--      -5.094                 -1.113                 10.306
 Raman3 Fr= 1--     133.187                614.184                157.001
 ROA3   Fr= 1--   -1850.179              -2255.605               4968.571
 CID3   Fr= 1--     -13.892                 -3.673                 31.647
 RC180  Fr= 1--       0.696                  0.699                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.01   0.01
     3   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.02
     7   6    -0.00   0.00  -0.00    -0.00   0.02  -0.02    -0.00   0.06  -0.06
     8   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    10   1     0.00   0.00  -0.00     0.02   0.03  -0.03     0.05   0.07  -0.07
    11   1     0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    12   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00   0.00   0.01    -0.03   0.02   0.03    -0.08   0.04   0.08
    16   1     0.00  -0.00   0.01     0.02  -0.02   0.05     0.04  -0.06   0.12
    17   1     0.00  -0.01   0.03     0.03  -0.05   0.25     0.09  -0.12   0.64
    18   1    -0.00  -0.02   0.00    -0.02  -0.24   0.03    -0.05  -0.60   0.06
    19   6     0.00   0.04   0.01    -0.01  -0.07  -0.02    -0.00   0.03   0.01
    20   6    -0.01  -0.08  -0.03    -0.01  -0.03  -0.01     0.00   0.02   0.01
    21   1    -0.01   0.01   0.01     0.04  -0.02  -0.02     0.04   0.01  -0.01
    22   1    -0.14  -0.17  -0.18     0.28   0.33   0.35    -0.09  -0.10  -0.11
    23   1     0.13  -0.31   0.03    -0.24   0.57  -0.07     0.10  -0.24   0.03
    24   1    -0.00  -0.02   0.01    -0.00  -0.02   0.03     0.00   0.01  -0.02
    25   1    -0.21   0.60  -0.03    -0.09   0.26  -0.01     0.05  -0.13   0.01
    26   1     0.39   0.34   0.36     0.18   0.15   0.16    -0.08  -0.07  -0.08
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3087.3739              3099.0003              3112.3083
 Red. masses --      1.1003                 1.0988                 1.0862
 Frc consts  --      6.1791                 6.2174                 6.1991
 IR Inten    --     27.4179                22.9595                15.2396
 RamAct Fr= 1--     59.8411                66.5981               123.2720
  Dep-P Fr= 1--      0.7260                 0.7309                 0.4638
  Dep-U Fr= 1--      0.8412                 0.8445                 0.6337
 Alpha2 Fr= 1--      0.0247                 0.0218                 0.7140
 Beta2  Fr= 1--      8.3902                 9.3740                13.0202
 AlphaG Fr= 1--     -0.0743                 0.0574                -0.4017
 Gamma2 Fr= 1--     -6.9324                 2.3572                 8.7286
 Delta2 Fr= 1--     -2.9918                 2.9153               -20.1960
 Raman1 Fr= 1--     239.364                266.392                493.088
 ROA1   Fr= 1--    -761.243                319.577                191.669
 CID1   Fr= 1--      -3.180                  1.200                  0.389
 Raman2 Fr= 1--     100.682                112.488                156.242
 ROA2   Fr= 1--    -142.442                 33.249                371.054
 CID2   Fr= 1--      -1.415                  0.296                  2.375
 Raman3 Fr= 1--     201.364                224.977                312.485
 ROA3   Fr= 1--    -761.243                319.577                191.669
 CID3   Fr= 1--      -3.780                  1.420                  0.613
 RC180  Fr= 1--       0.682                  0.689                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.07
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.02   0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.02  -0.09  -0.02    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1     0.03  -0.02  -0.08    -0.01   0.01   0.02    -0.32   0.22   0.86
    10   1     0.02   0.03  -0.03     0.00   0.00  -0.00     0.09   0.10  -0.12
    11   1     0.00   0.02   0.00    -0.01  -0.08  -0.01    -0.02  -0.24  -0.02
    12   1     0.00   0.00  -0.00     0.01   0.91   0.15    -0.00  -0.04  -0.01
    13   1     0.00  -0.00   0.00    -0.18   0.09  -0.15     0.01  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.06   0.03   0.25     0.00  -0.00  -0.01
    15   1    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
    16   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    17   1     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    18   1     0.00   0.02  -0.00    -0.00   0.00  -0.00     0.00   0.03  -0.00
    19   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    20   6    -0.02   0.04  -0.08    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
    21   1    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    23   1     0.01  -0.03   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.06  -0.28   0.84    -0.00  -0.00   0.00    -0.01  -0.02   0.07
    25   1     0.10  -0.32  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.00
    26   1     0.18   0.18   0.15     0.00   0.00   0.00     0.01   0.01   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3118.3071              3130.0821              3139.7881
 Red. masses --      1.0956                 1.0887                 1.0892
 Frc consts  --      6.2768                 6.2846                 6.3264
 IR Inten    --     17.1619                38.8053                28.9496
 RamAct Fr= 1--     38.4222               137.2062               172.3591
  Dep-P Fr= 1--      0.5673                 0.1981                 0.1343
  Dep-U Fr= 1--      0.7240                 0.3307                 0.2368
 Alpha2 Fr= 1--      0.1327                 1.8728                 2.7722
 Beta2  Fr= 1--      4.6360                 7.5612                 6.8017
 AlphaG Fr= 1--      0.0820                 0.8982                 0.6096
 Gamma2 Fr= 1--      0.6803                16.2182                -0.9582
 Delta2 Fr= 1--      0.4073                15.7497                -1.4772
 Raman1 Fr= 1--     153.689                548.825                689.436
 ROA1   Fr= 1--      78.340               2060.939               -139.257
 CID1   Fr= 1--       0.510                  3.755                 -0.202
 Raman2 Fr= 1--      55.632                 90.735                 81.621
 ROA2   Fr= 1--      13.068                263.239                -11.179
 CID2   Fr= 1--       0.235                  2.901                 -0.137
 Raman3 Fr= 1--     111.264                181.469                163.242
 ROA3   Fr= 1--      78.340               2060.939               -139.257
 CID3   Fr= 1--       0.704                 11.357                 -0.853
 RC180  Fr= 1--       0.448                 -0.339                 -0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.01  -0.00  -0.02     0.00  -0.00  -0.02
     2   6     0.00   0.00  -0.00    -0.01  -0.01   0.01     0.04   0.05  -0.05
     3   6    -0.00   0.00  -0.00    -0.00  -0.08  -0.01    -0.00  -0.01  -0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.00
     8   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     9   1    -0.00   0.00   0.00    -0.08   0.05   0.20    -0.07   0.05   0.19
    10   1    -0.02  -0.02   0.03     0.07   0.09  -0.10    -0.47  -0.57   0.61
    11   1    -0.00  -0.01  -0.00     0.10   0.95   0.09     0.01   0.11   0.01
    12   1     0.00   0.00   0.00     0.00   0.07   0.01     0.00   0.01   0.00
    13   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.00   0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00   0.00   0.00
    15   1     0.00  -0.00  -0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    16   1    -0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    17   1    -0.01   0.01  -0.07    -0.00   0.00  -0.01     0.01  -0.01   0.06
    18   1     0.00   0.01  -0.00     0.00   0.02  -0.00    -0.01  -0.11   0.01
    19   6    -0.09   0.00   0.01    -0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    21   1     0.91   0.02  -0.25     0.01  -0.00  -0.00    -0.03  -0.00   0.01
    22   1     0.09   0.14   0.14     0.00   0.00   0.00    -0.00  -0.01  -0.01
    23   1     0.07  -0.21   0.02    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.02   0.06
    25   1     0.00  -0.00  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    26   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   708.744041950.835902141.63006
           X            0.99999  -0.00154  -0.00488
           Y            0.00145   0.99984  -0.01775
           Z            0.00490   0.01774   0.99983
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.12221     0.04440     0.04044
 Rotational constants (GHZ):           2.54639     0.92511     0.84270
 Zero-point vibrational energy     616701.4 (Joules/Mol)
                                  147.39517 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    134.29   167.09   274.70   279.18   299.14
          (Kelvin)            340.27   406.46   448.08   488.08   507.65
                              591.38   639.48   694.69   752.03   759.91
                             1014.39  1060.47  1099.55  1134.57  1214.72
                             1269.46  1322.81  1399.16  1399.94  1407.67
                             1424.67  1450.59  1493.04  1501.94  1549.14
                             1567.15  1606.76  1667.32  1686.35  1703.64
                             1743.59  1790.01  1834.78  1911.39  1923.02
                             1938.98  1989.16  2013.11  2029.85  2034.58
                             2048.45  2070.09  2126.12  2134.60  2136.82
                             2143.91  2145.86  2154.70  2170.88  2178.67
                             2480.42  4310.72  4328.81  4337.01  4348.96
                             4366.63  4382.89  4385.47  4410.18  4415.50
                             4417.09  4442.04  4458.77  4477.92  4486.55
                             4503.49  4517.45
 
 Zero-point correction=                           0.234889 (Hartree/Particle)
 Thermal correction to Energy=                    0.245272
 Thermal correction to Enthalpy=                  0.246216
 Thermal correction to Gibbs Free Energy=         0.200187
 Sum of electronic and zero-point Energies=           -390.619872
 Sum of electronic and thermal Energies=              -390.609489
 Sum of electronic and thermal Enthalpies=            -390.608545
 Sum of electronic and thermal Free Energies=         -390.654574
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.911             41.085             96.878
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.472
 Vibrational            152.133             35.124             26.768
 Vibration     1          0.602              1.954              3.589
 Vibration     2          0.608              1.936              3.164
 Vibration     3          0.634              1.852              2.219
 Vibration     4          0.635              1.848              2.189
 Vibration     5          0.641              1.829              2.062
 Vibration     6          0.655              1.785              1.829
 Vibration     7          0.682              1.706              1.518
 Vibration     8          0.700              1.652              1.355
 Vibration     9          0.719              1.597              1.216
 Vibration    10          0.729              1.569              1.153
 Vibration    11          0.775              1.446              0.923
 Vibration    12          0.804              1.373              0.813
 Vibration    13          0.839              1.288              0.702
 Vibration    14          0.878              1.200              0.604
 Vibration    15          0.883              1.188              0.591
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.832967D-92        -92.079372       -212.020590
 Total V=0       0.916308D+16         15.962041         36.753959
 Vib (Bot)       0.216617-105       -105.664307       -243.301058
 Vib (Bot)    1  0.220149D+01          0.342718          0.789136
 Vib (Bot)    2  0.176121D+01          0.245810          0.565999
 Vib (Bot)    3  0.104792D+01          0.020329          0.046809
 Vib (Bot)    4  0.102991D+01          0.012801          0.029475
 Vib (Bot)    5  0.956072D+00         -0.019509         -0.044922
 Vib (Bot)    6  0.830400D+00         -0.080713         -0.185847
 Vib (Bot)    7  0.679664D+00         -0.167706         -0.386157
 Vib (Bot)    8  0.606670D+00         -0.217047         -0.499770
 Vib (Bot)    9  0.547627D+00         -0.261515         -0.602160
 Vib (Bot)   10  0.521937D+00         -0.282382         -0.650209
 Vib (Bot)   11  0.430103D+00         -0.366428         -0.843731
 Vib (Bot)   12  0.387560D+00         -0.411661         -0.947884
 Vib (Bot)   13  0.345544D+00         -0.461497         -1.062636
 Vib (Bot)   14  0.308051D+00         -0.511378         -1.177491
 Vib (Bot)   15  0.303317D+00         -0.518104         -1.192978
 Vib (V=0)       0.238291D+03          2.377107          5.473491
 Vib (V=0)    1  0.275756D+01          0.440525          1.014346
 Vib (V=0)    2  0.233081D+01          0.367506          0.846214
 Vib (V=0)    3  0.166109D+01          0.220394          0.507477
 Vib (V=0)    4  0.164487D+01          0.216131          0.497660
 Vib (V=0)    5  0.157892D+01          0.198361          0.456743
 Vib (V=0)    6  0.146931D+01          0.167114          0.384794
 Vib (V=0)    7  0.134377D+01          0.128324          0.295477
 Vib (V=0)    8  0.128616D+01          0.109295          0.251662
 Vib (V=0)    9  0.124155D+01          0.093964          0.216360
 Vib (V=0)   10  0.122278D+01          0.087350          0.201131
 Vib (V=0)   11  0.115954D+01          0.064284          0.148020
 Vib (V=0)   12  0.113262D+01          0.054083          0.124530
 Vib (V=0)   13  0.110778D+01          0.044455          0.102361
 Vib (V=0)   14  0.108728D+01          0.036341          0.083677
 Vib (V=0)   15  0.108481D+01          0.035353          0.081403
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.615989D+06          5.789573         13.330984
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000009419    0.000042392    0.000016614
      2        6          -0.000008271   -0.000045218    0.000011817
      3        6          -0.000008151   -0.000023645   -0.000003769
      4        6           0.000023259   -0.000039236   -0.000015306
      5        6           0.000001215    0.000004473   -0.000000488
      6        6          -0.000008302    0.000028118    0.000015205
      7        6           0.000010443   -0.000015847    0.000011267
      8        6           0.000000566    0.000047186   -0.000035115
      9        1          -0.000006100   -0.000000759    0.000002017
     10        1          -0.000000278   -0.000006161    0.000004115
     11        1          -0.000002635   -0.000000318   -0.000001982
     12        1          -0.000002550   -0.000000918   -0.000000715
     13        1          -0.000000613   -0.000000403   -0.000001300
     14        1          -0.000001460   -0.000000924   -0.000001510
     15        1           0.000000612    0.000000928   -0.000000967
     16        1          -0.000004877    0.000003173    0.000002446
     17        1          -0.000000548    0.000018789   -0.000028775
     18        1          -0.000000305   -0.000000203    0.000000329
     19        6           0.000003365   -0.000002149    0.000000964
     20        6           0.000001621    0.000000333   -0.000004526
     21        1          -0.000006152   -0.000004528    0.000026932
     22        1           0.000000927    0.000001320   -0.000001423
     23        1          -0.000002689   -0.000000649   -0.000000877
     24        1           0.000004960   -0.000009572    0.000001830
     25        1          -0.000002957    0.000003185    0.000002444
     26        1          -0.000000500    0.000000635    0.000000775
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000047186 RMS     0.000013755
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146858D+03 -0.518417D+01 -0.291806D+01
      2  -0.518417D+01  0.111723D+03  0.131278D+01
      3  -0.291806D+01  0.131278D+01  0.100137D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.524150D+01  0.734591D+00  0.158717D+01
      2   0.284567D+02 -0.545598D+01  0.867028D+01
      3  -0.205403D+02  0.103772D+02  0.833995D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.413512D+02 -0.125910D+02  0.943959D+01
      2   0.519835D+01  0.108832D+02 -0.194011D+02
      3   0.361529D+02  0.170782D+01  0.996155D+01
      4  -0.361803D+02 -0.214142D+02 -0.866917D+01
      5   0.177400D+02 -0.113357D+02  0.317362D+02
      6   0.407477D+01 -0.301445D+01 -0.803181D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.256496D+02 -0.970271D+00 -0.131634D+01 -0.316007D+01 -0.177223D+01
      2  -0.970271D+00  0.246605D+00 -0.277513D+00 -0.177223D+01 -0.611704D+01
      3  -0.131634D+01 -0.277513D+00 -0.421460D+01  0.535769D+00 -0.129644D+01
                 6             7             8             9            10 
      1   0.535769D+00 -0.608422D+01 -0.232550D+01 -0.587785D+01 -0.334725D+01
      2  -0.129644D+01 -0.232550D+01  0.480928D+00  0.138111D+01  0.237954D+01
      3   0.860634D+00 -0.587785D+01  0.138111D+01  0.308641D+01 -0.823257D-01
                11            12            13            14            15 
      1   0.237954D+01 -0.823257D-01 -0.318670D+00 -0.237515D+01  0.671341D+00
      2  -0.137531D+01  0.284612D+01 -0.237515D+01  0.586633D+01  0.155366D+01
      3   0.284612D+01 -0.189342D+01  0.671341D+00  0.155366D+01  0.221369D+00
                16            17            18            19            20 
      1  -0.119716D+01  0.447225D+01 -0.113826D+01  0.291962D+02 -0.382239D+01
      2   0.447225D+01  0.236347D+01  0.173712D+00 -0.382239D+01  0.473079D+01
      3  -0.113826D+01  0.173712D+00  0.144497D+01 -0.240285D+01 -0.245445D+00
                21            22            23            24            25 
      1  -0.240285D+01 -0.675213D+01  0.485482D+01  0.752042D+00 -0.721461D+01
      2  -0.245445D+00  0.485482D+01  0.410876D+01  0.405016D+00 -0.206409D+00
      3   0.209984D+01  0.752042D+00  0.405016D+00 -0.237499D+01  0.421709D+01
                26            27            28            29            30 
      1  -0.206409D+00  0.421709D+01 -0.244675D+02  0.458079D+01  0.288908D+01
      2  -0.744883D+00 -0.301410D+01  0.458079D+01 -0.370518D+01 -0.705930D+00
      3  -0.301410D+01 -0.416570D+01  0.288908D+01 -0.705930D+00 -0.339449D+01
                31            32            33            34            35 
      1   0.106899D+02 -0.648392D+01 -0.554299D+00  0.803194D+01 -0.127743D+01
      2  -0.648392D+01  0.141799D+01 -0.803814D-01 -0.127743D+01  0.103659D+01
      3  -0.554299D+00 -0.803814D-01  0.207880D+01 -0.486305D+01  0.981032D+00
                36            37            38            39            40 
      1  -0.486305D+01  0.136068D+02 -0.280727D+01 -0.636685D-01 -0.346034D+01
      2   0.981032D+00 -0.280727D+01 -0.173338D+00 -0.515089D+00  0.164010D+01
      3   0.242139D+01 -0.636685D-01 -0.515089D+00  0.285847D+01 -0.501763D+00
                41            42            43            44            45 
      1   0.164010D+01 -0.501763D+00 -0.578281D+00 -0.276463D+00  0.677799D+01
      2   0.656761D+01  0.136284D+01 -0.276463D+00  0.169524D+01 -0.124682D+01
      3   0.136284D+01 -0.150476D+01  0.677799D+01 -0.124682D+01 -0.514534D+01
                46            47            48            49            50 
      1  -0.697892D+00 -0.361182D+01 -0.208024D+01 -0.545793D+01  0.511915D+01
      2  -0.361182D+01  0.201772D+01  0.114201D+00  0.511915D+01 -0.129577D+01
      3  -0.208024D+01  0.114201D+00  0.266610D+01 -0.387838D+00  0.855952D+00
                51            52            53            54            55 
      1  -0.387838D+00 -0.234195D+01 -0.918015D+00  0.479839D+01  0.241832D+01
      2   0.855952D+00 -0.918015D+00  0.258016D+01 -0.372525D+01  0.139335D+01
      3  -0.248444D+01  0.479839D+01 -0.372525D+01  0.204850D+01  0.106162D+01
                56            57            58            59            60 
      1   0.139335D+01  0.106162D+01  0.169749D+01 -0.921052D+00 -0.155404D+00
      2  -0.223108D+00  0.174810D+00 -0.921052D+00 -0.811326D+01 -0.151955D+00
      3   0.174810D+00 -0.947572D+00 -0.155404D+00 -0.151955D+00  0.127137D+01
                61            62            63            64            65 
      1   0.165906D+01  0.350238D+00 -0.106987D+01  0.156294D+02 -0.119694D+01
      2   0.350238D+00  0.462107D+00  0.432137D+00 -0.119694D+01  0.207325D+01
      3  -0.106987D+01  0.432137D+00 -0.528503D+01  0.451082D+01 -0.716235D+00
                66            67            68            69            70 
      1   0.451082D+01  0.237580D+01  0.611095D+01  0.768614D+00  0.136450D+02
      2  -0.716235D+00  0.611095D+01 -0.428759D+01  0.119960D+01 -0.141070D+00
      3   0.317477D+01  0.768614D+00  0.119960D+01  0.866784D+00  0.470590D+01
                71            72            73            74            75 
      1  -0.141070D+00  0.470590D+01  0.469356D+01 -0.104340D+01 -0.201840D+01
      2   0.359489D+00  0.959085D+00 -0.104340D+01  0.353010D+00  0.508174D+00
      3   0.959085D+00 -0.104615D+01 -0.201840D+01  0.508174D+00  0.243926D+01
                76            77            78            79            80 
      1  -0.307572D+01  0.270507D+00  0.270771D+00 -0.239346D+01  0.602087D+00
      2   0.270507D+00 -0.719531D+00 -0.146975D+01  0.602087D+00 -0.179974D+01
      3   0.270771D+00 -0.146975D+01 -0.220369D+01  0.323166D+01 -0.263231D+01
                81            82            83            84            85 
      1   0.323166D+01  0.295381D+01  0.150255D+01 -0.126130D+01  0.100072D+01
      2  -0.263231D+01  0.150255D+01  0.179277D+01 -0.149957D+01  0.147030D+01
      3  -0.847052D+01 -0.126130D+01 -0.149957D+01  0.177097D+01 -0.132789D+01
                86            87            88            89            90 
      1   0.147030D+01 -0.132789D+01 -0.199600D+01 -0.182623D+01  0.152344D+01
      2   0.419804D+01 -0.235083D+01 -0.182623D+01 -0.266949D+01  0.218468D+01
      3  -0.235083D+01  0.201798D+01  0.152344D+01  0.218468D+01 -0.290633D+01
                91            92            93            94            95 
      1   0.206768D+00 -0.151978D+01 -0.656556D+00 -0.176896D+01 -0.140606D+01
      2  -0.151978D+01 -0.104069D+01  0.115886D+00 -0.140606D+01 -0.105813D+02
      3  -0.656556D+00  0.115886D+00  0.218391D+00 -0.677554D-02 -0.178033D+01
                96            97            98            99           100 
      1  -0.677554D-02 -0.225292D+01  0.276363D+00 -0.706552D+00 -0.579799D+00
      2  -0.178033D+01  0.276363D+00 -0.702450D+00 -0.570643D+00 -0.709228D+00
      3  -0.110484D+01 -0.706552D+00 -0.570643D+00 -0.579361D-01 -0.374698D+00
               101           102           103           104           105 
      1  -0.709228D+00 -0.374698D+00 -0.273600D+01 -0.332553D+01 -0.914657D-01
      2  -0.379125D+00 -0.484737D-01 -0.332553D+01 -0.848366D+01 -0.502882D+00
      3  -0.484737D-01 -0.214950D+00 -0.914657D-01 -0.502882D+00 -0.101826D+01
               106           107           108           109           110 
      1  -0.890320D+00 -0.420496D+00 -0.807040D+00 -0.118797D+02  0.132682D+01
      2  -0.420496D+00 -0.105196D+01 -0.918030D+00  0.132682D+01 -0.105996D+01
      3  -0.807040D+00 -0.918030D+00  0.123038D-01 -0.224235D+01  0.614436D+00
               111           112           113           114           115 
      1  -0.224235D+01  0.525809D+01 -0.160421D+01  0.663895D+00 -0.530842D+01
      2   0.614436D+00 -0.160421D+01  0.754421D+00 -0.892089D+00  0.586735D+00
      3  -0.172786D+01  0.663895D+00 -0.892089D+00  0.987108D+00 -0.334135D+01
               116           117           118           119           120 
      1   0.586735D+00 -0.334135D+01 -0.518165D+01  0.127048D+00  0.212188D+01
      2  -0.115211D+01  0.744562D+00  0.127048D+00 -0.149551D+00  0.681249D-01
      3   0.744562D+00 -0.127514D+01  0.212188D+01  0.681249D-01 -0.195243D+01
               121           122           123           124           125 
      1   0.246481D+01 -0.879056D+00 -0.669663D+00  0.621079D+01  0.676121D+00
      2  -0.879056D+00 -0.233733D+00  0.884991D+00  0.676121D+00  0.103717D+01
      3  -0.669663D+00  0.884991D+00  0.975271D+00 -0.541281D+01  0.305178D+00
               126           127           128           129           130 
      1  -0.541281D+01 -0.551009D+01  0.265309D+01  0.259498D+01  0.246244D+01
      2   0.305178D+00  0.265309D+01 -0.233148D+01 -0.108572D+01 -0.216577D+01
      3   0.749991D+01  0.259498D+01 -0.108572D+01 -0.179404D+01 -0.902544D+00
               131           132           133           134           135 
      1  -0.216577D+01 -0.902544D+00  0.404413D+01 -0.146497D+01 -0.304133D+01
      2   0.194782D+01  0.118721D+01 -0.146497D+01  0.168298D+01  0.220554D+01
      3   0.118721D+01  0.124904D+01 -0.304133D+01  0.220554D+01  0.260360D+01
               136           137           138           139           140 
      1  -0.236774D+01  0.217346D+01 -0.113969D+01  0.205851D+01 -0.233004D+01
      2   0.217346D+01 -0.178051D+01  0.723271D+00 -0.233004D+01  0.394072D+01
      3  -0.113969D+01  0.723271D+00 -0.125769D+01  0.107358D+01 -0.217394D+01
               141           142           143           144           145 
      1   0.107358D+01 -0.277680D+01  0.232108D+01 -0.319108D+01 -0.219282D-01
      2  -0.217394D+01  0.232108D+01 -0.463282D+01  0.330266D+01 -0.180300D+00
      3   0.185163D+01 -0.319108D+01  0.330266D+01 -0.476820D+01  0.670547D+00
               146           147           148           149           150 
      1  -0.180300D+00  0.670547D+00 -0.731612D+00  0.474348D+00 -0.210526D+00
      2   0.225668D+00  0.690603D-02  0.474348D+00  0.418699D+00  0.942936D+00
      3   0.690603D-02  0.534801D+00 -0.210526D+00  0.942936D+00 -0.621014D+00
               151           152           153           154           155 
      1   0.154042D+01 -0.423372D+00  0.635890D+00  0.304304D+00  0.122391D+01
      2  -0.423372D+00  0.150279D+01  0.108977D+01  0.122391D+01  0.576749D+00
      3   0.635890D+00  0.108977D+01  0.710539D+01 -0.114837D+00  0.830857D-01
               156           157           158           159           160 
      1  -0.114837D+00  0.113565D+01  0.406795D+00  0.663341D-01 -0.531681D+00
      2   0.830857D-01  0.406795D+00  0.125891D+02  0.526705D+00  0.613790D-01
      3   0.192353D+00  0.663341D-01  0.526705D+00  0.815769D+00  0.133767D+00
               161           162           163           164           165 
      1   0.613790D-01  0.133767D+00  0.411313D+01  0.338312D+00 -0.330049D+01
      2  -0.101082D+01  0.118107D+01  0.338312D+00 -0.327399D+01 -0.550475D+00
      3   0.118107D+01  0.353707D+00 -0.330049D+01 -0.550475D+00 -0.184912D+01
               166           167           168           169           170 
      1  -0.168541D+00 -0.484426D+01 -0.857088D+00 -0.431806D+01 -0.655725D+00
      2  -0.484426D+01  0.566628D+01 -0.339010D+01 -0.655725D+00 -0.180195D+01
      3  -0.857088D+00 -0.339010D+01 -0.323237D+01 -0.281655D+01 -0.263466D+01
               171           172           173           174           175 
      1  -0.281655D+01 -0.389428D+01 -0.658561D+00 -0.354102D+01 -0.144799D+01
      2  -0.263466D+01 -0.658561D+00 -0.368523D+01 -0.961963D+00 -0.634638D+01
      3  -0.527515D+00 -0.354102D+01 -0.961963D+00 -0.119727D+01 -0.146569D+01
               176           177           178           179           180 
      1  -0.634638D+01 -0.146569D+01 -0.432888D+01 -0.143753D+01 -0.261151D+01
      2   0.523705D+01 -0.173399D+00 -0.143753D+01 -0.600345D+00 -0.289755D+01
      3  -0.173399D+00 -0.291835D+01 -0.261151D+01 -0.289755D+01  0.493857D+01
               181           182           183           184           185 
      1  -0.602927D+01 -0.281937D+00  0.118281D+01 -0.425313D+00 -0.159911D+00
      2  -0.281937D+00 -0.741828D+00  0.669283D+00 -0.159911D+00 -0.716901D+00
      3   0.118281D+01  0.669283D+00 -0.259032D+01  0.290367D+00  0.699661D+00
               186           187           188           189           190 
      1   0.290367D+00  0.895353D+00  0.351416D+00 -0.131055D+01  0.292025D+01
      2   0.699661D+00  0.351416D+00  0.550128D+00  0.753536D-01  0.785086D+00
      3   0.112619D+00 -0.131055D+01  0.753536D-01  0.143369D+01  0.284647D+01
               191           192           193           194           195 
      1   0.785086D+00  0.284647D+01  0.207563D+01  0.170471D+01  0.191444D+01
      2   0.129225D+01  0.636044D+00  0.170471D+01  0.130166D+01  0.196527D+01
      3   0.636044D+00  0.316369D+01  0.191444D+01  0.196527D+01  0.376961D+01
               196           197           198           199           200 
      1   0.198656D+01  0.825742D+00  0.297995D+01  0.174074D+01 -0.194484D+01
      2   0.825742D+00  0.128558D+01  0.164278D+01 -0.194484D+01  0.242911D+01
      3   0.297995D+01  0.164278D+01  0.557679D+01  0.133030D+01 -0.824094D+00
               201           202           203           204           205 
      1   0.133030D+01 -0.243759D+01  0.342022D+01 -0.113503D+01  0.427460D+00
      2  -0.824094D+00  0.342022D+01 -0.795138D+01  0.303444D+01 -0.256756D+00
      3   0.135580D+01 -0.113503D+01  0.303444D+01 -0.208426D+01  0.903621D+00
               206           207           208           209           210 
      1  -0.256756D+00  0.903621D+00  0.453658D+00  0.511525D+00 -0.903254D+00
      2   0.943382D+00 -0.102417D+01  0.511525D+00  0.411401D+00 -0.545674D-01
      3  -0.102417D+01  0.941986D+00 -0.903254D+00 -0.545674D-01  0.839789D+00
               211           212           213           214           215 
      1   0.122367D+01  0.108383D+01 -0.534188D+00 -0.278983D+01 -0.231305D+00
      2   0.108383D+01  0.377936D+00 -0.111536D+01 -0.231305D+00 -0.123071D+01
      3  -0.534188D+00 -0.111536D+01  0.195520D+01  0.279584D+01  0.153072D+01
               216           217           218           219           220 
      1   0.279584D+01  0.361698D+01 -0.224896D+01  0.165706D+00 -0.537093D+01
      2   0.153072D+01 -0.224896D+01  0.220365D+01  0.164812D+00  0.501493D+01
      3  -0.715436D+01  0.165706D+00  0.164812D+00  0.345881D+00  0.615317D+00
               221           222           223           224           225 
      1   0.501493D+01  0.615317D+00  0.101743D+01  0.817182D-01  0.107193D+01
      2  -0.741363D+01 -0.229971D+00  0.817182D-01  0.135456D+00 -0.689830D+00
      3  -0.229971D+00 -0.985360D+00  0.107193D+01 -0.689830D+00 -0.356789D+00
               226           227           228           229           230 
      1   0.777276D+01  0.200019D+01  0.212381D+01  0.486911D+01  0.304292D+01
      2   0.200019D+01  0.156632D+01  0.759917D+00  0.304292D+01  0.152146D+01
      3   0.212381D+01  0.759917D+00  0.137362D+01  0.117769D+01  0.989168D+00
               231           232           233           234 
      1   0.117769D+01  0.554444D+01  0.125615D+01  0.241234D+01
      2   0.989168D+00  0.125615D+01  0.128182D+01  0.116398D+01
      3   0.149916D+01  0.241234D+01  0.116398D+01  0.169180D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.372840D+01 -0.104351D+01 -0.234214D+01 -0.172142D+01  0.719740D+01
      2  -0.353560D+02 -0.140205D+00 -0.379264D+01 -0.325346D+01 -0.413312D+01
      3   0.352100D+02 -0.512275D+01  0.162204D+01  0.185539D+02  0.924720D+01
                 6             7             8             9            10 
      1   0.518150D+00  0.106142D+01  0.396874D+01  0.233461D+01  0.207760D+01
      2  -0.804351D-01 -0.236431D+02 -0.211517D+01 -0.541217D+01 -0.375704D+01
      3   0.297337D+01  0.130768D+02 -0.124622D+01  0.618683D+01 -0.782562D+01
                11            12            13            14            15 
      1  -0.282461D+01 -0.486657D+00 -0.121028D+00 -0.814737D+01 -0.454681D+01
      2   0.636300D+01  0.119282D+01 -0.116330D+01  0.137791D+01  0.141146D+01
      3  -0.232259D+01 -0.582115D+01  0.126920D+02 -0.144117D+02 -0.960794D-01
                16            17            18            19            20 
      1  -0.118105D+01  0.325707D+01 -0.255611D+01 -0.323259D+00  0.210110D+00
      2  -0.501330D+01  0.661400D+01  0.194441D+01  0.283265D+02 -0.222756D+01
      3  -0.134943D+02  0.610493D+00 -0.296023D+01 -0.506261D+02  0.128066D+02
                21            22            23            24            25 
      1   0.414423D+01  0.258038D+01 -0.423239D+01 -0.304819D+01  0.993533D+01
      2  -0.426357D+01 -0.842378D+01  0.471881D+01  0.267993D+01 -0.268238D+02
      3   0.281084D+01  0.251284D+02 -0.722872D+01 -0.320175D+01  0.131240D+02
                26            27            28            29            30 
      1   0.826182D+00 -0.319006D+01  0.980138D+00  0.640020D+00 -0.304701D+01
      2   0.300719D+01  0.797771D+01 -0.275106D+02  0.293826D+01  0.821647D+01
      3  -0.415952D+01 -0.105631D+02  0.446202D+02 -0.174220D+02 -0.580442D+01
                31            32            33            34            35 
      1   0.150387D+01  0.966607D+00  0.110664D+01 -0.833760D+01  0.105296D+02
      2   0.123938D+02 -0.343158D+01 -0.355547D+01  0.364707D+01 -0.244885D+01
      3  -0.191427D+02  0.887773D+01 -0.160179D+01 -0.165625D+02  0.214444D+01
                36            37            38            39            40 
      1   0.371453D+01 -0.103115D+01  0.174018D+00  0.133014D+01  0.954040D+00
      2  -0.649182D+01 -0.194253D+01  0.266318D+01 -0.954197D+01  0.390226D+01
      3   0.810521D+01 -0.250528D+02  0.107549D+01 -0.153386D+01  0.142953D+02
                41            42            43            44            45 
      1   0.314485D+01 -0.285160D+01  0.614143D+01  0.705253D+00 -0.523000D+01
      2  -0.558905D+01  0.562534D+01 -0.362355D+02  0.506714D+01  0.218906D+02
      3   0.236516D+02  0.570287D+01 -0.287822D+01  0.716453D+01 -0.118742D+02
                46            47            48            49            50 
      1   0.360730D+01  0.387867D+00 -0.470706D+01  0.226677D+01 -0.218243D+01
      2   0.697679D+01 -0.200718D+01 -0.438170D+01 -0.184270D+01 -0.426875D+00
      3  -0.966877D+01 -0.616796D+01 -0.491657D+01  0.103570D+02 -0.559251D+01
                51            52            53            54            55 
      1   0.269774D+01 -0.123615D+02  0.125256D+02 -0.234809D+01 -0.192376D+01
      2   0.497936D+01 -0.153085D+02  0.857035D+01 -0.247955D+01 -0.342777D+01
      3   0.317289D+01 -0.745135D+01  0.879220D+01 -0.293748D+01  0.105474D+02
                56            57            58            59            60 
      1  -0.126227D+01  0.234244D+01  0.427701D+00 -0.755514D+01 -0.512093D+01
      2  -0.359828D+00  0.166390D+01 -0.253914D+01  0.139451D+01 -0.690856D+00
      3   0.549724D+01  0.433296D+01  0.117388D+02 -0.590231D+01  0.520732D+00
                61            62            63            64            65 
      1   0.306009D+01  0.336115D+01  0.128487D+02 -0.113686D+01  0.261831D+01
      2  -0.143649D+01 -0.126098D+01  0.310661D+01  0.304740D+02 -0.207619D+01
      3   0.423573D+01  0.193885D+00 -0.106099D+01 -0.981013D+01 -0.109026D+02
                66            67            68            69            70 
      1   0.210712D+01 -0.482607D+01  0.266929D+01 -0.424750D+01 -0.257723D+01
      2   0.125563D+02  0.705042D+01  0.433643D+01  0.358730D+01  0.115221D+02
      3  -0.331033D+00 -0.170379D+02  0.923618D+01 -0.265670D+01 -0.116224D+02
                71            72            73            74            75 
      1   0.568008D+01 -0.221221D-01 -0.190928D+01 -0.401740D+00  0.140923D+01
      2   0.451225D+01 -0.236940D+00  0.548543D+01 -0.940626D+00  0.800113D+00
      3  -0.179847D+01 -0.629273D+01 -0.464571D+01 -0.104526D+01  0.111179D+01
                76            77            78            79            80 
      1   0.421144D+00  0.598792D-02 -0.653626D+00  0.207154D+01  0.346257D+01
      2  -0.415236D+01 -0.910365D+00 -0.145664D+01 -0.282460D+01 -0.926238D+00
      3   0.789215D+01 -0.567381D+00  0.346310D+00  0.131968D+01  0.174855D+01
                81            82            83            84            85 
      1  -0.257673D+01  0.380400D+00  0.841052D-02 -0.177410D+01  0.408694D+00
      2  -0.246628D+01  0.236576D+01 -0.826153D+00  0.213568D+01 -0.573287D+00
      3  -0.100305D+01  0.107602D+01 -0.203310D+01  0.909878D-01  0.366842D+01
                86            87            88            89            90 
      1  -0.127992D+01 -0.279668D+01 -0.947508D+00  0.538169D+00  0.277714D+01
      2  -0.114344D+01  0.118909D+01 -0.203096D+01  0.901260D-01 -0.219263D+01
      3  -0.400204D+01  0.125716D+01 -0.371088D+00  0.202514D+01 -0.115083D+00
                91            92            93            94            95 
      1  -0.740617D+00  0.119963D+01 -0.390535D+00  0.118300D+01  0.635897D+01
      2   0.515141D+00 -0.134646D+01 -0.200420D+00 -0.181361D+01 -0.781525D+00
      3  -0.501606D+00 -0.185269D-02  0.988341D+00  0.445013D+01 -0.758327D+01
                96            97            98            99           100 
      1  -0.408653D+01 -0.379290D+01  0.866609D+00  0.972037D+00 -0.737470D+00
      2   0.148557D+01 -0.227960D+01  0.871747D-01 -0.899941D+00  0.136622D+01
      3  -0.108662D+01  0.607166D+01 -0.799639D+00  0.476575D+00 -0.291129D+01
               101           102           103           104           105 
      1  -0.497642D+00 -0.150472D+00 -0.586738D+00 -0.222465D+01 -0.399762D+01
      2   0.381213D+00  0.148188D+01  0.252278D+00  0.178351D+01  0.408660D+01
      3  -0.225702D+01  0.369686D+00 -0.512001D+01 -0.275770D+02 -0.201439D+01
               106           107           108           109           110 
      1  -0.123089D+00 -0.194542D+00 -0.429182D+00 -0.145926D+00  0.935276D+00
      2   0.149999D+01  0.246484D+01 -0.916703D-01  0.878507D+01 -0.218611D+01
      3  -0.267638D+00 -0.341088D+01 -0.188890D+01  0.161662D+02 -0.780158D+01
               111           112           113           114           115 
      1  -0.106001D+01  0.170501D+00 -0.908565D+00 -0.182354D+00 -0.132865D+01
      2   0.895572D+01 -0.363752D+01  0.321882D+01 -0.419059D+01  0.122777D+02
      3   0.446174D+01 -0.909916D+01  0.436717D+01 -0.385451D+01  0.691061D+01
               116           117           118           119           120 
      1   0.157441D+01 -0.743410D+00  0.227103D+01 -0.636158D+00 -0.180270D+01
      2  -0.294219D+01  0.496935D+01 -0.747634D+01 -0.674618D+00  0.823291D+01
      3  -0.596822D+01  0.571470D+01  0.680426D+01 -0.204696D+01 -0.226961D+01
               121           122           123           124           125 
      1  -0.968394D+00  0.999215D+00  0.497541D+00 -0.354016D+01  0.317661D+01
      2   0.219043D+01 -0.289069D+01 -0.390567D+01  0.193134D+02 -0.111593D+01
      3  -0.307696D+01  0.945853D-01  0.319591D+01 -0.443738D+01  0.454079D+01
               126           127           128           129           130 
      1   0.710986D+01 -0.470766D+01  0.116957D+01  0.392466D+01  0.108057D+01
      2  -0.288331D+02 -0.532356D+01  0.319815D+01  0.581257D+01  0.209361D+01
      3   0.676246D+01 -0.375476D+01 -0.456555D+01  0.150950D+01  0.792229D+00
               131           132           133           134           135 
      1  -0.153223D+01 -0.295948D+01  0.531799D+01 -0.168955D+01 -0.460514D+01
      2  -0.279059D+01 -0.341188D+01  0.451041D+01 -0.509348D+01 -0.665876D+01
      3   0.796952D+00  0.812939D+00  0.523134D+01  0.211486D+01  0.164094D+00
               136           137           138           139           140 
      1   0.179667D+01 -0.120824D+01  0.232915D+01 -0.137743D+01  0.239582D+01
      2   0.136411D+01 -0.680468D+00  0.374453D+01 -0.309986D+00  0.324471D+01
      3   0.137746D+01 -0.174365D+01  0.301004D+00 -0.978783D+00  0.749337D+01
               141           142           143           144           145 
      1  -0.461791D+01  0.638783D+01 -0.470910D+01  0.824461D+01 -0.251608D+01
      2  -0.397367D+01  0.436497D+01 -0.609717D+01  0.911468D+01 -0.487517D+00
      3  -0.312882D+01  0.906709D+00 -0.988980D+01  0.337878D+01 -0.419995D+00
               146           147           148           149           150 
      1   0.105324D+01 -0.179825D+01  0.124225D+01 -0.179775D+01  0.185651D+01
      2   0.386664D+00 -0.181156D+00  0.182965D+01 -0.162427D+01  0.904765D+00
      3  -0.272842D+01  0.172769D+01 -0.194258D+01  0.818827D+00  0.125160D+00
               151           152           153           154           155 
      1  -0.218429D+01  0.199827D+01 -0.159297D+02  0.961572D+00  0.385688D+00
      2  -0.419464D+01  0.115545D+00 -0.376543D+01  0.762661D+00 -0.608073D+00
      3   0.463743D+01 -0.737588D+00  0.118277D+01  0.683523D+00  0.145226D+01
               156           157           158           159           160 
      1  -0.544548D+00 -0.150350D+00  0.476775D+01 -0.457828D+01 -0.713296D+00
      2   0.915503D+00 -0.132360D+01 -0.914126D+00 -0.291096D+00 -0.660542D+00
      3  -0.836695D+00  0.729424D+01  0.580323D+01  0.252559D+00 -0.140023D+01
               161           162           163           164           165 
      1  -0.170196D+01 -0.333521D+00 -0.130752D+01 -0.696062D+01 -0.256969D+01
      2  -0.367176D+00 -0.615587D+00 -0.177135D+02 -0.255511D+01  0.726134D+01
      3  -0.892682D+00  0.123539D+01 -0.420313D+01  0.342930D+01  0.406759D+01
               166           167           168           169           170 
      1  -0.110667D+02  0.859719D+01 -0.124454D+02 -0.353322D+01 -0.511509D+01
      2  -0.398536D+01  0.116953D+01 -0.374328D+01 -0.728615D+00 -0.332341D+01
      3   0.111744D+02 -0.733698D+01  0.657858D+01  0.509202D+01  0.446848D+01
               171           172           173           174           175 
      1  -0.668566D+01 -0.116442D+01  0.109818D+01 -0.473344D+00  0.265081D+01
      2   0.806379D+00 -0.153077D+02 -0.370052D+01 -0.626205D+01 -0.554655D+01
      3   0.690381D+01  0.541075D+01  0.139229D+02  0.475926D+01  0.305074D+02
               176           177           178           179           180 
      1  -0.273844D+01 -0.254550D+01 -0.504478D+00  0.111481D+01  0.333380D+01
      2  -0.481789D+01 -0.117156D+02 -0.173692D+02 -0.110752D+02  0.174238D+02
      3  -0.173637D+02  0.119975D+01  0.748304D+01  0.193003D+01  0.118075D+02
               181           182           183           184           185 
      1  -0.871440D-01 -0.229041D+01 -0.146349D+01 -0.142752D+01  0.152385D+00
      2   0.202386D+02  0.101876D+01 -0.413715D+01  0.112552D+01  0.186335D+01
      3   0.700503D+01 -0.564864D+00 -0.137393D+01  0.232925D+01  0.878489D+00
               186           187           188           189           190 
      1   0.497380D-01 -0.122462D+01  0.205778D+01  0.778491D+00  0.398409D+01
      2  -0.237140D+00 -0.578481D+01 -0.499399D+00  0.411183D+01  0.851941D+00
      3  -0.726902D+00 -0.732206D+00 -0.115809D+00  0.113916D+01 -0.309444D+01
               191           192           193           194           195 
      1   0.422832D+01  0.361860D+01  0.477252D+01  0.548913D+01  0.542508D+01
      2  -0.400293D+00  0.317207D+01 -0.940375D+00  0.146509D+01  0.486217D+01
      3  -0.393993D+01 -0.325522D+01 -0.320147D+01 -0.413842D+01 -0.480778D+01
               196           197           198           199           200 
      1   0.438324D+01  0.602582D+01  0.748918D+01 -0.253673D+01  0.436699D+01
      2  -0.187332D+01  0.140997D+01  0.623153D+01 -0.361626D+00  0.126208D+01
      3  -0.198123D+01 -0.385351D+01 -0.493361D+01  0.175546D+01 -0.409512D+01
               201           202           203           204           205 
      1   0.883142D+00  0.586596D+01 -0.131282D+02  0.842022D+00  0.491763D-01
      2   0.189575D+01  0.318581D+01  0.758873D+00 -0.330391D+01 -0.536342D+00
      3   0.879503D+00 -0.117493D+01  0.118010D+02 -0.453077D+01 -0.372475D+00
               206           207           208           209           210 
      1   0.231006D+01 -0.988838D+00 -0.605252D+00 -0.382841D+00  0.381445D+00
      2  -0.736165D+00  0.528187D+00 -0.341578D+01  0.281376D-01  0.345569D+01
      3  -0.124016D+01  0.871563D+00 -0.179199D+01 -0.198807D+01  0.765543D+00
               211           212           213           214           215 
      1  -0.387584D+00 -0.113457D+01  0.260540D+00  0.817027D+00  0.389822D+01
      2  -0.434067D+00 -0.280324D+01  0.685778D+01  0.429776D+01  0.551375D+01
      3  -0.254754D+01 -0.191383D+01  0.390517D+01  0.123706D+01  0.519932D+01
               216           217           218           219           220 
      1  -0.271955D+01  0.957320D+00 -0.996659D+00  0.779886D+00 -0.118066D+01
      2  -0.236640D+02  0.219075D+01 -0.542615D+00  0.287593D+01 -0.330515D+00
      3  -0.661701D+01  0.626441D+01 -0.865734D+01 -0.727294D+00 -0.128725D+02
               221           222           223           224           225 
      1   0.334909D+01 -0.320589D+01  0.330239D+00  0.404707D+00  0.832957D-01
      2   0.190488D+01 -0.442283D+01  0.265497D+01 -0.177051D+01 -0.826725D+00
      3   0.255021D+02  0.296517D+00 -0.142471D+01 -0.467141D+00  0.161041D+01
               226           227           228           229           230 
      1   0.128623D+00  0.290754D-01 -0.640032D+00 -0.254557D+00  0.113401D+00
      2   0.109172D+02  0.368710D+01  0.846119D+01  0.624588D+01  0.502036D+01
      3  -0.100191D+02 -0.863997D+01 -0.358447D+01 -0.112464D+02 -0.754596D+01
               231           232           233           234 
      1  -0.143931D+01  0.199052D+00  0.991222D+00 -0.672341D+00
      2   0.730966D+01  0.922213D+01  0.491497D+01  0.799098D+01
      3  -0.409534D+01 -0.633028D+01 -0.635305D+01 -0.529287D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.349842D+01  0.119439D+01 -0.791737D+01  0.310230D+01 -0.330319D+01
      2   0.114841D+02 -0.295878D+01 -0.130432D+01 -0.888581D+00  0.616502D+01
      3  -0.149825D+02  0.176439D+01  0.922169D+01 -0.221372D+01 -0.286183D+01
      4   0.158556D+02  0.305695D+01 -0.273496D+01 -0.142400D+01  0.305685D-02
      5   0.194516D+01 -0.378159D+01 -0.107869D+02  0.294057D+01 -0.152541D+01
      6  -0.719170D+00 -0.104956D+01  0.162596D+01  0.123214D+00  0.752045D+01
                 6             7             8             9            10 
      1   0.582578D+01 -0.253368D+02  0.424847D+00  0.954969D+01 -0.739633D+01
      2   0.336918D+00  0.147128D+01  0.374439D+01  0.821023D+01  0.499399D+01
      3  -0.616270D+01  0.238655D+02 -0.416924D+01 -0.177599D+02  0.240234D+01
      4  -0.126844D+01 -0.661399D+01  0.436937D+01  0.756528D+01  0.506491D+01
      5   0.267550D+01 -0.163494D+02  0.490975D+01  0.129070D+02  0.188236D+00
      6  -0.173820D+01  0.848258D+01 -0.207726D+01 -0.992908D+01  0.501203D+01
                11            12            13            14            15 
      1   0.787515D+01 -0.482871D+01  0.797544D+01 -0.115752D+02 -0.226180D+01
      2   0.340832D+00  0.484458D+01 -0.309305D+01  0.125595D+02  0.411357D+01
      3  -0.821598D+01 -0.158662D-01 -0.488239D+01 -0.984320D+00 -0.185177D+01
      4  -0.540380D+01  0.835067D+01 -0.827269D+01  0.133703D+01  0.713207D+01
      5   0.802976D+01 -0.476603D+01  0.171331D+01  0.476824D+01 -0.376130D+01
      6   0.427694D+01 -0.573005D+01  0.682387D+01  0.502016D+01 -0.397092D+01
                16            17            18            19            20 
      1  -0.687126D+01  0.675789D+01 -0.243368D+01 -0.524321D+02  0.121582D+02
      2   0.502342D+01 -0.148541D+01  0.130345D+01  0.182307D+02 -0.962620D+01
      3   0.184784D+01 -0.527248D+01  0.113023D+01  0.342013D+02 -0.253200D+01
      4   0.131628D+02  0.485547D+01 -0.420418D+01 -0.159741D+02 -0.906541D+01
      5  -0.615792D+01 -0.304150D+01  0.460424D+01 -0.198486D+01  0.178383D+01
      6  -0.554898D+01 -0.602351D+01  0.791459D+01  0.472800D+01 -0.164207D+01
                21            22            23            24            25 
      1   0.430775D+01  0.291330D+02  0.639041D+01 -0.240558D+01  0.187603D+02
      2  -0.381574D+00 -0.236167D+02 -0.224341D+02 -0.317994D+01 -0.390141D+00
      3  -0.392618D+01 -0.551633D+01  0.160436D+02  0.558551D+01 -0.183701D+02
      4   0.225831D+01 -0.254961D+01 -0.122171D+02 -0.158302D+01  0.347941D+01
      5  -0.225071D+01 -0.589067D+01 -0.337420D+01  0.271106D+01  0.245981D+01
      6  -0.472387D+01 -0.551342D+01 -0.831312D+01  0.537911D+01 -0.122287D+02
                26            27            28            29            30 
      1  -0.349047D+01 -0.241373D+02  0.724510D+02 -0.219472D+02 -0.140754D+02
      2  -0.551430D+01  0.968191D+00 -0.375376D+02  0.106315D+02  0.398833D+01
      3   0.900477D+01  0.231691D+02 -0.349134D+02  0.113157D+02  0.100871D+02
      4   0.496162D+01  0.177049D+01  0.448621D+01  0.643640D+01  0.109942D+01
      5   0.328600D+01  0.948960D+01 -0.227526D+01  0.318072D+01  0.115777D+02
      6   0.128804D+02  0.121378D+02 -0.435843D+01  0.672051D+01  0.493458D+01
                31            32            33            34            35 
      1  -0.232510D+02  0.703060D+01  0.211002D+01 -0.160695D+02  0.472036D+01
      2   0.863429D+01  0.771859D+01  0.128042D+01  0.467218D+01 -0.106214D+01
      3   0.146167D+02 -0.147492D+02 -0.339044D+01  0.113973D+02 -0.365823D+01
      4   0.149992D+02  0.179959D+01  0.154061D+00  0.589310D+00  0.447719D+00
      5  -0.197696D+01  0.412051D+01 -0.479847D+01  0.239317D+02 -0.419800D+01
      6   0.638800D+01 -0.590015D+01 -0.260599D+01  0.603055D+01  0.191255D+01
                36            37            38            39            40 
      1   0.111654D+02 -0.688819D+02  0.222602D+02 -0.100973D+02  0.337100D+02
      2  -0.119659D+02  0.423188D+02 -0.125773D+02  0.256781D+01 -0.248149D+02
      3   0.800438D+00  0.265631D+02 -0.968294D+01  0.752954D+01 -0.889512D+01
      4  -0.310053D+00  0.890703D+01  0.211660D+01  0.421678D+01 -0.692355D+01
      5  -0.467717D+01 -0.140235D+02  0.415201D+01 -0.222209D+02  0.576415D+01
      6  -0.638000D+01  0.111739D+01 -0.213177D+00 -0.271543D+01 -0.893592D+00
                41            42            43            44            45 
      1   0.642081D+01  0.782953D+01 -0.176343D+02  0.750446D+01 -0.302466D+02
      2  -0.210007D+02 -0.528207D+01  0.281361D+00 -0.629318D+01  0.280884D+02
      3   0.145799D+02 -0.254746D+01  0.173530D+02 -0.121128D+01  0.215815D+01
      4  -0.399253D+02 -0.820781D+01  0.379457D+01 -0.921284D+01  0.287530D+01
      5  -0.103265D+02  0.109826D+02 -0.542134D+02  0.999361D+01  0.369836D+02
      6  -0.267819D+01  0.252609D+01 -0.783561D+01  0.169053D+01  0.748070D+01
                46            47            48            49            50 
      1   0.761209D+01  0.740246D+01  0.851255D+01  0.654337D+01 -0.114584D+02
      2  -0.503182D+01 -0.299706D+01 -0.393754D+01 -0.219600D+00  0.784306D+01
      3  -0.258027D+01 -0.440540D+01 -0.457502D+01 -0.632377D+01  0.361529D+01
      4   0.165279D+02 -0.153132D+02 -0.701720D+01 -0.256372D+02  0.871217D+01
      5   0.116736D+02 -0.510361D+01 -0.136561D+02  0.156863D+01 -0.471980D+01
      6  -0.945221D+01 -0.272649D+01  0.110680D+02 -0.584147D+01  0.101194D+02
                51            52            53            54            55 
      1  -0.111673D+01  0.826676D+01 -0.490157D+01 -0.632273D+01 -0.104479D+02
      2   0.213326D+01 -0.446246D+01  0.469439D+01  0.708234D+00  0.798596D+01
      3  -0.101653D+01 -0.380429D+01  0.207172D+00  0.561450D+01  0.246196D+01
      4  -0.219438D+01 -0.324348D+00 -0.104171D+02  0.232815D+02  0.177228D+00
      5   0.116508D+02 -0.257717D+02  0.206316D+02 -0.569884D+01 -0.133977D+01
      6  -0.116047D+02  0.208970D+02 -0.227507D+02  0.997617D+01  0.704883D+01
                56            57            58            59            60 
      1   0.149873D+01 -0.108362D+01 -0.197414D+01  0.315509D+02 -0.128704D+01
      2  -0.599814D+01  0.138078D+01 -0.564821D+00 -0.526420D+02 -0.148967D+01
      3   0.449941D+01 -0.297161D+00  0.253896D+01  0.210911D+02  0.277671D+01
      4  -0.169641D+00  0.274506D+01  0.615354D+01  0.481405D+01 -0.679581D+00
      5   0.180850D+01  0.262861D-01 -0.990653D+00 -0.149727D+01 -0.172061D+00
      6   0.363445D+00 -0.199645D+01 -0.268122D+00 -0.343053D+01  0.408350D+01
                61            62            63            64            65 
      1  -0.169577D+01 -0.155293D+01  0.117240D+02  0.657497D+01 -0.355922D+01
      2   0.137726D+01  0.523611D+01  0.656954D+01 -0.105666D+02  0.276823D+00
      3   0.318509D+00 -0.368318D+01 -0.182935D+02  0.399166D+01  0.328240D+01
      4  -0.115176D+01  0.806998D+00 -0.500446D+01 -0.912315D+01  0.899090D+01
      5   0.478580D+01 -0.174665D+01  0.898143D+00  0.169016D+02 -0.124857D+01
      6  -0.327933D+01  0.320398D+01 -0.168375D+02 -0.479049D+01  0.319910D+01
                66            67            68            69            70 
      1   0.160505D+02 -0.546239D+01  0.151287D+02 -0.340739D+00  0.228130D+02
      2  -0.102433D+02  0.864075D+00 -0.564691D+01 -0.161701D+01 -0.138235D+02
      3  -0.580717D+01  0.459832D+01 -0.948182D+01  0.195775D+01 -0.898944D+01
      4  -0.317444D+01  0.200685D+02 -0.166572D+02  0.333371D+01 -0.594145D+01
      5   0.110271D+02 -0.177454D+00  0.522059D+01  0.484532D+01  0.189765D+02
      6   0.599410D+00  0.774702D+00 -0.490427D+01  0.232212D+01 -0.326255D+01
                71            72            73            74            75 
      1  -0.168247D+01  0.489559D+01 -0.227216D+01 -0.116192D+00  0.405737D+01
      2  -0.126877D+01 -0.826257D+01 -0.547402D+01  0.147984D+01  0.424974D+01
      3   0.295124D+01  0.336698D+01  0.774618D+01 -0.136365D+01 -0.830711D+01
      4   0.180926D+01  0.327651D+01 -0.685105D+01  0.458474D+01  0.398445D+01
      5   0.467935D+01 -0.587229D+01 -0.877160D+01  0.357055D+01  0.129429D+02
      6   0.350804D+01  0.181983D+01  0.462745D+01 -0.230061D+01 -0.400739D+01
                76            77            78            79            80 
      1   0.459728D+01 -0.693480D+01 -0.728638D+01  0.656092D+01 -0.735204D+01
      2  -0.838596D+00  0.109453D+01 -0.163793D+00  0.629632D+01 -0.267790D+01
      3  -0.375869D+01  0.584028D+01  0.745017D+01 -0.128572D+02  0.100299D+02
      4   0.445145D+01 -0.203740D+01 -0.406992D+01  0.536912D+01 -0.410007D+01
      5   0.381987D+01 -0.406790D+01 -0.476317D+01  0.145359D+02 -0.600353D+01
      6  -0.289071D+01  0.598080D+01  0.104715D+02 -0.466434D+01  0.992640D+01
                81            82            83            84            85 
      1  -0.268809D+02  0.587309D+01 -0.151526D+01  0.690977D+00 -0.124797D+01
      2  -0.150873D+02 -0.189404D+01  0.281799D+01 -0.516111D+00  0.324113D+01
      3   0.419682D+02 -0.397905D+01 -0.130274D+01 -0.174867D+00 -0.199315D+01
      4  -0.773169D+01  0.112859D+02  0.124197D+02 -0.842947D+01  0.111331D+02
      5  -0.198325D+02 -0.704979D+01 -0.687685D+01  0.850931D+01 -0.556527D+01
      6   0.170170D+02 -0.795973D+01 -0.688698D+01  0.671227D+01 -0.720336D+01
                86            87            88            89            90 
      1  -0.106186D+02  0.492382D+01  0.174032D+00  0.504338D+01 -0.689836D+01
      2   0.137223D+02 -0.509801D+01  0.215854D+00 -0.424275D+01  0.463863D+00
      3  -0.310361D+01  0.174184D+00 -0.389886D+00 -0.800628D+00  0.643450D+01
      4   0.164006D+02 -0.951712D+01 -0.870522D+01 -0.977273D+01  0.101696D+02
      5  -0.771917D+01  0.598659D+01  0.775017D+01  0.746855D+01 -0.969960D+01
      6  -0.150468D+02  0.127802D+02  0.776179D+01  0.136643D+02 -0.141060D+02
                91            92            93            94            95 
      1  -0.295312D+01  0.819981D+00  0.192986D+01  0.125774D+01 -0.336481D+02
      2   0.432849D+01  0.297608D+01 -0.684577D+00  0.265328D+01  0.491781D+02
      3  -0.137537D+01 -0.379606D+01 -0.124528D+01 -0.391102D+01 -0.155300D+02
      4   0.297909D+01  0.101392D+02  0.139856D+01  0.923402D+01  0.205188D+02
      5   0.131558D+01  0.181531D+01  0.161314D+01  0.239392D+01  0.533802D+01
      6   0.377786D+01  0.684541D-01 -0.341021D-01  0.132504D+01  0.164618D+02
                96            97            98            99           100 
      1  -0.708773D+01  0.356108D+01 -0.343707D+01 -0.117501D+01  0.444380D+01
      2   0.683079D+01 -0.326186D+01  0.358610D+01  0.319992D+01  0.770702D+00
      3   0.256943D+00 -0.299212D+00 -0.149033D+00 -0.202492D+01 -0.521451D+01
      4   0.330156D+01  0.152476D+01 -0.224650D+00  0.123396D+01  0.658178D+01
      5   0.314365D+01  0.270143D+01  0.138829D+01 -0.190734D+00  0.268427D+01
      6   0.927953D+01  0.335912D+01  0.549953D+01  0.168022D+01  0.798727D+00
               101           102           103           104           105 
      1   0.582122D+01  0.265470D+01  0.951387D+01 -0.681764D+01 -0.826637D+00
      2  -0.183330D+01 -0.100408D+01  0.456496D+01  0.313581D+02  0.199098D+01
      3  -0.398792D+01 -0.165062D+01 -0.140788D+02 -0.245405D+02 -0.116434D+01
      4   0.922083D+01  0.867266D+00  0.273770D+02  0.569959D+02  0.372356D+01
      5   0.223046D+00  0.293462D+01  0.974241D+00  0.467539D+01  0.776620D+01
      6   0.218038D+00  0.184491D+00  0.419398D+00  0.351495D+00  0.635114D+01
               106           107           108           109           110 
      1   0.494040D+01 -0.896465D+00  0.508828D+00  0.886618D+02 -0.121570D+02
      2  -0.109547D+01  0.277901D+01  0.565570D+00 -0.482930D+02  0.803617D+01
      3  -0.384493D+01 -0.188254D+01 -0.107440D+01 -0.403688D+02  0.412080D+01
      4   0.359513D+01  0.727489D+01  0.579608D+01 -0.797472D+00  0.102272D+02
      5   0.706308D+01  0.562809D+01 -0.645347D-01  0.274767D+02 -0.500028D+01
      6   0.248682D+01  0.660692D+01  0.128755D+01  0.997676D+00 -0.176553D+00
               111           112           113           114           115 
      1   0.194481D+02 -0.366828D+02  0.104335D+02 -0.594670D+01  0.407089D+02
      2  -0.112139D+02  0.209295D+02 -0.429559D+01  0.417481D+01 -0.225976D+02
      3  -0.823427D+01  0.157533D+02 -0.613790D+01  0.177188D+01 -0.181113D+02
      4  -0.248415D+01  0.113399D+02 -0.574526D+01  0.627835D+01 -0.799416D+00
      5   0.178894D+02 -0.955467D+01  0.748502D+01 -0.819173D+01  0.330437D+02
      6   0.198378D+01  0.177884D+01 -0.459824D+00  0.677865D+00  0.274857D+01
               116           117           118           119           120 
      1  -0.538270D+01  0.194141D+02  0.290606D+02 -0.224509D+01 -0.118467D+02
      2   0.467315D+01 -0.153333D+02 -0.198099D+02  0.169638D+01  0.929452D+01
      3   0.709547D+00 -0.408079D+01 -0.925072D+01  0.548713D+00  0.255222D+01
      4   0.857908D+01 -0.257953D+01  0.401591D+01  0.326795D+01 -0.266164D+01
      5  -0.618456D+01  0.129462D+02 -0.164600D+02 -0.477814D+00  0.197832D+02
      6   0.123413D+01  0.128488D+00 -0.325718D+01 -0.646228D+00  0.316341D+01
               121           122           123           124           125 
      1  -0.145576D+02  0.142127D+01  0.253254D+01 -0.249743D+02 -0.202298D+01
      2   0.106327D+02 -0.555882D+00 -0.399369D+01  0.231048D+02 -0.938609D+00
      3   0.392494D+01 -0.865392D+00  0.146114D+01  0.186944D+01  0.296159D+01
      4   0.597451D+01  0.181680D+01 -0.591555D+01 -0.994490D+01 -0.930215D+01
      5   0.464376D+01 -0.598433D+01 -0.698806D+01  0.454172D+02 -0.199526D+01
      6  -0.201090D+01 -0.855562D-01  0.331445D+01  0.807343D+01  0.423694D+01
               126           127           128           129           130 
      1   0.159952D+02  0.215704D+02 -0.658806D+01 -0.935184D+01 -0.478455D+01
      2  -0.267516D+02 -0.886766D+01 -0.237139D-01  0.466386D+01 -0.190561D+01
      3   0.107564D+02 -0.127028D+02  0.661178D+01  0.468798D+01  0.669016D+01
      4   0.246317D+01 -0.234200D+02  0.176858D+02  0.102124D+02  0.158250D+02
      5  -0.557131D+02 -0.177148D+02  0.725460D+01  0.129997D+02  0.574629D+01
      6  -0.115188D+02  0.938979D+01 -0.481137D+01 -0.711818D+01 -0.483330D+01
               131           132           133           134           135 
      1   0.161128D+01  0.378183D+00 -0.120059D+02  0.765376D+00  0.357991D+01
      2   0.407292D+01  0.217896D+01  0.704895D+01  0.158918D+01 -0.408564D+01
      3  -0.568421D+01 -0.255714D+01  0.495691D+01 -0.235456D+01  0.505724D+00
      4  -0.140714D+02 -0.758010D+01  0.146596D+02 -0.119110D+02 -0.143709D+02
      5  -0.689968D+01 -0.669242D+01  0.190362D+02 -0.119271D+02 -0.156505D+02
      6   0.615259D+01  0.738452D+01 -0.116852D+02  0.111211D+02  0.959417D+01
               136           137           138           139           140 
      1   0.608258D+01 -0.484798D+01  0.309637D+01 -0.689894D+00 -0.527939D+01
      2  -0.209269D+01  0.598610D+00 -0.214599D+01 -0.353071D+01  0.102825D+02
      3  -0.398990D+01  0.424937D+01 -0.950389D+00  0.422061D+01 -0.500313D+01
      4  -0.140003D+02  0.135914D+02 -0.601980D+01  0.146748D+02 -0.174103D+02
      5   0.787910D+01 -0.504708D+01  0.996818D+01 -0.542882D+01  0.101322D+02
      6  -0.621758D+01  0.463835D+01 -0.573412D+01  0.718143D+01 -0.141723D+02
               141           142           143           144           145 
      1   0.303097D+01  0.398604D+01  0.578628D+01 -0.255029D+01  0.379645D+00
      2  -0.457219D+01 -0.209001D+01 -0.690690D+01 -0.292484D+01 -0.354028D+01
      3   0.154121D+01 -0.189604D+01  0.112062D+01  0.547513D+01  0.316064D+01
      4   0.105011D+02 -0.152256D+02  0.202660D+02 -0.178151D+02  0.490102D+00
      5  -0.855007D+01  0.184637D+02 -0.162713D+02  0.212064D+02  0.100046D+01
      6   0.131623D+02 -0.154102D+02  0.213609D+02 -0.223818D+02  0.918605D+00
               146           147           148           149           150 
      1  -0.828124D+00 -0.796925D+00  0.378257D+00 -0.459693D+01 -0.936282D+00
      2   0.152223D+01 -0.547293D+00  0.939426D+00  0.375946D+01  0.382304D+01
      3  -0.694106D+00  0.134422D+01 -0.131768D+01  0.837470D+00 -0.288676D+01
      4   0.241660D+01  0.177879D+01 -0.237622D+00  0.381653D+00  0.450644D-01
      5  -0.335505D+00  0.559531D+01 -0.121131D+00  0.380005D+00  0.631023D-01
      6   0.116915D+01  0.153161D+01  0.503947D+00  0.254734D+01  0.234971D+01
               151           152           153           154           155 
      1  -0.598752D+00 -0.732233D+01 -0.196174D+02 -0.158097D+01 -0.309954D+01
      2  -0.145263D+01  0.506687D+01 -0.888314D+01  0.654921D+01  0.459836D+01
      3   0.205139D+01  0.225545D+01  0.285006D+02 -0.496824D+01 -0.149883D+01
      4   0.372992D+01  0.242564D+00  0.250880D+01  0.137343D-01  0.105131D+02
      5   0.365872D+01 -0.600939D+00 -0.951524D+00  0.298862D+00  0.847561D+00
      6   0.112119D+01  0.867877D+01  0.231944D+02 -0.533428D+00  0.447461D+00
               156           157           158           159           160 
      1  -0.361805D+00 -0.176205D+01 -0.487014D+02 -0.266358D+01  0.382370D-01
      2  -0.646475D-01  0.168755D+01  0.810076D+02  0.284946D+01  0.210135D+00
      3   0.426452D+00  0.745014D-01 -0.323062D+02 -0.185880D+00 -0.248372D+00
      4  -0.221420D+00  0.756145D+01 -0.314383D+01 -0.918383D-01 -0.806785D+00
      5   0.144506D+01  0.148342D+00  0.882360D+00 -0.247432D+00  0.545156D+00
      6   0.799846D+00  0.309984D+00  0.685880D+01  0.783732D+01  0.680147D+00
               161           162           163           164           165 
      1   0.270741D+01 -0.618523D+01  0.207689D+02 -0.191137D+01 -0.674720D+01
      2  -0.524013D+01  0.611043D+01 -0.369377D+01  0.100479D+02  0.915522D+01
      3   0.253272D+01  0.748011D-01 -0.170752D+02 -0.813649D+01 -0.240801D+01
      4   0.997337D+00 -0.751195D-01 -0.527757D+01 -0.103809D+02  0.521439D+00
      5  -0.580641D+00  0.166330D-01 -0.385850D+01 -0.130298D+01 -0.154697D+02
      6   0.975653D+01  0.107244D+01  0.213713D+01 -0.114156D+02 -0.381229D+01
               166           167           168           169           170 
      1  -0.239959D+01 -0.892210D+00 -0.998201D+00 -0.762394D+01  0.989735D+00
      2   0.157381D+02 -0.669955D+01  0.162341D+02  0.107798D+02  0.114615D+02
      3  -0.133385D+02  0.759176D+01 -0.152359D+02 -0.315588D+01 -0.124512D+02
      4  -0.185588D+02  0.244261D+02 -0.135991D+02  0.332586D+00 -0.760518D+01
      5  -0.346304D+01 -0.202991D+02 -0.143767D+02 -0.223285D+02 -0.110597D+02
      6  -0.163864D+02  0.180279D+02 -0.102620D+02 -0.485562D+01 -0.614913D+01
               171           172           173           174           175 
      1  -0.107511D+02 -0.882078D+01 -0.102911D+02 -0.241130D+02 -0.164001D+02
      2   0.957228D+01  0.354720D+00  0.985217D+01  0.111955D+02  0.167640D+02
      3   0.117880D+01  0.846606D+01  0.438948D+00  0.129175D+02 -0.363912D+00
      4  -0.843255D+01 -0.883666D+01 -0.272222D+02 -0.686829D+01 -0.461501D+02
      5  -0.931306D+01 -0.265590D+02 -0.705245D+01 -0.941153D+01 -0.114287D+02
      6  -0.132546D+02 -0.204863D+00  0.199421D+01 -0.519735D+00  0.340663D+01
               176           177           178           179           180 
      1  -0.268564D+02 -0.105863D+02 -0.318727D+02 -0.105912D+02 -0.877547D+01
      2   0.444868D+01  0.253407D+01  0.116302D+02  0.186580D+01  0.142442D+02
      3   0.224078D+02  0.805221D+01  0.202425D+02  0.872541D+01 -0.546871D+01
      4   0.365260D+02 -0.274685D+01 -0.113126D+02 -0.428682D+01 -0.189611D+02
      5  -0.100844D+01 -0.187539D+02 -0.171736D+02 -0.184534D+02  0.302555D+02
      6  -0.433732D+01 -0.127280D+01 -0.152797D+01  0.137998D+01  0.142768D+01
               181           182           183           184           185 
      1  -0.134505D+02 -0.254968D+01  0.115852D+02 -0.539325D+00 -0.347428D+01
      2   0.427429D+01  0.137332D+00  0.103426D+01 -0.117303D+01  0.280580D+01
      3   0.917616D+01  0.241235D+01 -0.126195D+02  0.171235D+01  0.668483D+00
      4   0.807934D+01  0.119574D+01 -0.702810D+00  0.380082D+01 -0.143742D+01
      5  -0.121248D+02  0.198992D+00  0.221928D+01 -0.783895D-01  0.700019D+00
      6  -0.154460D+01 -0.396725D+01  0.557707D+01 -0.100050D+01 -0.299424D+01
               186           187           188           189           190 
      1   0.184259D+01  0.788472D+01  0.144266D+01 -0.642861D+01  0.724078D+01
      2  -0.266960D+01  0.309738D+00 -0.110191D+01 -0.305281D+01 -0.122982D+02
      3   0.827019D+00 -0.819446D+01 -0.340751D+00  0.948142D+01  0.505745D+01
      4   0.924502D+00 -0.739498D+00 -0.360656D+00  0.277923D+01  0.425862D+01
      5   0.235691D+01  0.645063D+01  0.167154D+01 -0.294008D+01  0.198447D+02
      6   0.395872D+01  0.327175D+01  0.300365D+01 -0.145232D+01  0.342826D+01
               191           192           193           194           195 
      1   0.329295D+01  0.332861D+01  0.481940D+01 -0.387336D+00 -0.313747D+01
      2  -0.537494D+01 -0.127305D+02 -0.949584D+01 -0.294828D+01 -0.116233D+02
      3   0.208198D+01  0.940189D+01  0.467644D+01  0.333562D+01  0.147608D+02
      4   0.642462D+01  0.255799D+01  0.833635D+01  0.531476D+01  0.815351D+01
      5   0.567159D+01  0.219962D+02  0.133489D+02  0.111349D+02  0.180547D+02
      6   0.596461D+01  0.287586D+01  0.793211D+01  0.745452D+01  0.103142D+02
               196           197           198           199           200 
      1   0.228489D+01 -0.165140D+01 -0.677622D+01  0.403866D+01 -0.344200D+01
      2  -0.124548D+02 -0.640634D+01 -0.207779D+02 -0.109205D+00 -0.299782D+01
      3   0.101699D+02  0.805774D+01  0.275541D+02 -0.392946D+01  0.643982D+01
      4   0.286571D+01  0.555911D+01  0.588231D+01 -0.121979D+02  0.154781D+02
      5   0.205701D+02  0.827834D+01  0.284405D+02  0.867724D+01 -0.777957D+01
      6   0.405875D+01  0.774556D+01  0.807148D+01 -0.693547D+01  0.931892D+01
               201           202           203           204           205 
      1   0.210857D+00 -0.200064D+01 -0.114371D+02  0.713542D+01 -0.113806D+01
      2  -0.201446D+01 -0.611647D+01  0.238070D+02 -0.534199D+01 -0.160935D+01
      3   0.180360D+01  0.811711D+01 -0.123699D+02 -0.179344D+01  0.274741D+01
      4  -0.533583D+01  0.192261D+02 -0.328249D+02  0.116769D+02 -0.149341D+01
      5   0.923007D+01 -0.956488D+01  0.153991D+02 -0.931484D+01  0.615793D+01
      6  -0.432808D+01  0.123750D+02 -0.290780D+02  0.164876D+02 -0.326299D+01
               206           207           208           209           210 
      1   0.387537D+01 -0.223063D+01  0.472285D+01  0.358146D+01 -0.596404D+01
      2  -0.796301D+00  0.154596D+00 -0.491154D+01 -0.243104D+01  0.469177D+01
      3  -0.307907D+01  0.207603D+01  0.188694D+00 -0.115042D+01  0.127228D+01
      4   0.384907D+01 -0.452464D+01  0.360019D+01  0.391140D+01 -0.104968D+01
      5  -0.453665D+01  0.560898D+01 -0.707925D+01 -0.158432D+01  0.107561D+02
      6   0.995633D+01 -0.575693D+01 -0.820054D+00 -0.391940D+00  0.258975D+00
               211           212           213           214           215 
      1   0.752842D+01  0.239187D+01  0.567350D+00 -0.129642D+02  0.138171D+01
      2  -0.540271D+01 -0.141025D+01  0.280158D+01  0.121904D+02  0.233863D+01
      3  -0.212571D+01 -0.981625D+00 -0.336893D+01  0.773787D+00 -0.372034D+01
      4   0.870690D+01  0.239552D+01 -0.722358D+01 -0.148879D+01 -0.866398D+01
      5  -0.457130D+01 -0.697161D+01  0.129039D+02  0.234807D+02  0.990063D+01
      6  -0.197761D+01 -0.222145D+01  0.500388D+01  0.561463D+00  0.461284D+01
               216           217           218           219           220 
      1   0.170715D+01  0.230418D+02 -0.133938D+02  0.128512D+01 -0.257785D+02
      2  -0.187730D+02 -0.686676D+01  0.299414D+01 -0.449646D+00  0.352385D+01
      3   0.170658D+02 -0.161751D+02  0.103996D+02 -0.835479D+00  0.222547D+02
      4   0.100623D+02 -0.193975D+02  0.219306D+02  0.164269D+01  0.411475D+02
      5  -0.471350D+02 -0.524089D+00  0.257636D+01  0.484182D+01  0.645548D+01
      6  -0.171151D+01  0.198864D+01 -0.198963D+01 -0.827984D+00 -0.427174D+01
               221           222           223           224           225 
      1   0.137143D+02  0.240188D+01  0.571727D+01  0.648550D+00  0.328166D+01
      2   0.105874D+02 -0.170419D+01 -0.173067D+01 -0.801004D+00 -0.148918D+01
      3  -0.243016D+02 -0.697690D+00 -0.398660D+01  0.152453D+00 -0.179248D+01
      4  -0.546512D+02 -0.161392D+01  0.413270D+00  0.112360D+01 -0.481556D+01
      5  -0.287239D+01 -0.822370D+01  0.915946D+01 -0.529780D+01 -0.282477D+01
      6   0.666569D+01  0.566509D+01 -0.304550D+01  0.512059D+01  0.206757D+00
               226           227           228           229           230 
      1   0.580245D+02  0.156746D+02  0.161352D+02  0.324276D+02  0.154051D+02
      2  -0.282090D+02 -0.773197D+01 -0.788306D+01 -0.154245D+02 -0.381269D+01
      3  -0.298155D+02 -0.794260D+01 -0.825213D+01 -0.170031D+02 -0.115924D+02
      4   0.183679D+02  0.156708D+02  0.637866D+01  0.266009D+02  0.134953D+02
      5   0.169617D+02  0.579058D+01  0.133435D+02  0.929448D+01  0.702932D+01
      6   0.822829D+00 -0.161706D+00  0.232420D+00  0.830905D+00  0.177352D+01
               231           232           233           234 
      1   0.742787D+01  0.350344D+02  0.736041D+01  0.128299D+02
      2  -0.279608D+01 -0.176980D+02 -0.317465D+01 -0.952971D+01
      3  -0.463178D+01 -0.173364D+02 -0.418576D+01 -0.330015D+01
      4   0.814882D+01  0.110316D+02  0.107151D+02  0.916043D+01
      5   0.116935D+02  0.206644D+02  0.887723D+01  0.142889D+02
      6   0.224286D+01  0.188960D+01  0.162409D+01  0.163218D+01
 Leave Link  716 at Fri Jul 16 13:46:05 2021, MaxMem=  5637144576 cpu:               4.7 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.146858D+03 -0.518417D+01 -0.291806D+01
      2  -0.518417D+01  0.111723D+03  0.131278D+01
      3  -0.291806D+01  0.131278D+01  0.100137D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.524150D+01  0.734591D+00  0.158717D+01
      2   0.284567D+02 -0.545598D+01  0.867028D+01
      3  -0.205403D+02  0.103772D+02  0.833995D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.413512D+02 -0.125910D+02  0.943959D+01
      2   0.519835D+01  0.108832D+02 -0.194011D+02
      3   0.361529D+02  0.170782D+01  0.996155D+01
      4  -0.361803D+02 -0.214142D+02 -0.866917D+01
      5   0.177400D+02 -0.113357D+02  0.317362D+02
      6   0.407477D+01 -0.301445D+01 -0.803181D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.256496D+02 -0.970271D+00 -0.131634D+01 -0.316007D+01 -0.177223D+01
      2  -0.970271D+00  0.246605D+00 -0.277513D+00 -0.177223D+01 -0.611704D+01
      3  -0.131634D+01 -0.277513D+00 -0.421460D+01  0.535769D+00 -0.129644D+01
                 6             7             8             9            10 
      1   0.535769D+00 -0.608422D+01 -0.232550D+01 -0.587785D+01 -0.334725D+01
      2  -0.129644D+01 -0.232550D+01  0.480928D+00  0.138111D+01  0.237954D+01
      3   0.860634D+00 -0.587785D+01  0.138111D+01  0.308641D+01 -0.823257D-01
                11            12            13            14            15 
      1   0.237954D+01 -0.823257D-01 -0.318670D+00 -0.237515D+01  0.671341D+00
      2  -0.137531D+01  0.284612D+01 -0.237515D+01  0.586633D+01  0.155366D+01
      3   0.284612D+01 -0.189342D+01  0.671341D+00  0.155366D+01  0.221369D+00
                16            17            18            19            20 
      1  -0.119716D+01  0.447225D+01 -0.113826D+01  0.291962D+02 -0.382239D+01
      2   0.447225D+01  0.236347D+01  0.173712D+00 -0.382239D+01  0.473079D+01
      3  -0.113826D+01  0.173712D+00  0.144497D+01 -0.240285D+01 -0.245445D+00
                21            22            23            24            25 
      1  -0.240285D+01 -0.675213D+01  0.485482D+01  0.752042D+00 -0.721461D+01
      2  -0.245445D+00  0.485482D+01  0.410876D+01  0.405016D+00 -0.206409D+00
      3   0.209984D+01  0.752042D+00  0.405016D+00 -0.237499D+01  0.421709D+01
                26            27            28            29            30 
      1  -0.206409D+00  0.421709D+01 -0.244675D+02  0.458079D+01  0.288908D+01
      2  -0.744883D+00 -0.301410D+01  0.458079D+01 -0.370518D+01 -0.705930D+00
      3  -0.301410D+01 -0.416570D+01  0.288908D+01 -0.705930D+00 -0.339449D+01
                31            32            33            34            35 
      1   0.106899D+02 -0.648392D+01 -0.554299D+00  0.803194D+01 -0.127743D+01
      2  -0.648392D+01  0.141799D+01 -0.803814D-01 -0.127743D+01  0.103659D+01
      3  -0.554299D+00 -0.803814D-01  0.207880D+01 -0.486305D+01  0.981032D+00
                36            37            38            39            40 
      1  -0.486305D+01  0.136068D+02 -0.280727D+01 -0.636685D-01 -0.346034D+01
      2   0.981032D+00 -0.280727D+01 -0.173338D+00 -0.515089D+00  0.164010D+01
      3   0.242139D+01 -0.636685D-01 -0.515089D+00  0.285847D+01 -0.501763D+00
                41            42            43            44            45 
      1   0.164010D+01 -0.501763D+00 -0.578281D+00 -0.276463D+00  0.677799D+01
      2   0.656761D+01  0.136284D+01 -0.276463D+00  0.169524D+01 -0.124682D+01
      3   0.136284D+01 -0.150476D+01  0.677799D+01 -0.124682D+01 -0.514534D+01
                46            47            48            49            50 
      1  -0.697892D+00 -0.361182D+01 -0.208024D+01 -0.545793D+01  0.511915D+01
      2  -0.361182D+01  0.201772D+01  0.114201D+00  0.511915D+01 -0.129577D+01
      3  -0.208024D+01  0.114201D+00  0.266610D+01 -0.387838D+00  0.855952D+00
                51            52            53            54            55 
      1  -0.387838D+00 -0.234195D+01 -0.918015D+00  0.479839D+01  0.241832D+01
      2   0.855952D+00 -0.918015D+00  0.258016D+01 -0.372525D+01  0.139335D+01
      3  -0.248444D+01  0.479839D+01 -0.372525D+01  0.204850D+01  0.106162D+01
                56            57            58            59            60 
      1   0.139335D+01  0.106162D+01  0.169749D+01 -0.921052D+00 -0.155404D+00
      2  -0.223108D+00  0.174810D+00 -0.921052D+00 -0.811326D+01 -0.151955D+00
      3   0.174810D+00 -0.947572D+00 -0.155404D+00 -0.151955D+00  0.127137D+01
                61            62            63            64            65 
      1   0.165906D+01  0.350238D+00 -0.106987D+01  0.156294D+02 -0.119694D+01
      2   0.350238D+00  0.462107D+00  0.432137D+00 -0.119694D+01  0.207325D+01
      3  -0.106987D+01  0.432137D+00 -0.528503D+01  0.451082D+01 -0.716235D+00
                66            67            68            69            70 
      1   0.451082D+01  0.237580D+01  0.611095D+01  0.768614D+00  0.136450D+02
      2  -0.716235D+00  0.611095D+01 -0.428759D+01  0.119960D+01 -0.141070D+00
      3   0.317477D+01  0.768614D+00  0.119960D+01  0.866784D+00  0.470590D+01
                71            72            73            74            75 
      1  -0.141070D+00  0.470590D+01  0.469356D+01 -0.104340D+01 -0.201840D+01
      2   0.359489D+00  0.959085D+00 -0.104340D+01  0.353010D+00  0.508174D+00
      3   0.959085D+00 -0.104615D+01 -0.201840D+01  0.508174D+00  0.243926D+01
                76            77            78            79            80 
      1  -0.307572D+01  0.270507D+00  0.270771D+00 -0.239346D+01  0.602087D+00
      2   0.270507D+00 -0.719531D+00 -0.146975D+01  0.602087D+00 -0.179974D+01
      3   0.270771D+00 -0.146975D+01 -0.220369D+01  0.323166D+01 -0.263231D+01
                81            82            83            84            85 
      1   0.323166D+01  0.295381D+01  0.150255D+01 -0.126130D+01  0.100072D+01
      2  -0.263231D+01  0.150255D+01  0.179277D+01 -0.149957D+01  0.147030D+01
      3  -0.847052D+01 -0.126130D+01 -0.149957D+01  0.177097D+01 -0.132789D+01
                86            87            88            89            90 
      1   0.147030D+01 -0.132789D+01 -0.199600D+01 -0.182623D+01  0.152344D+01
      2   0.419804D+01 -0.235083D+01 -0.182623D+01 -0.266949D+01  0.218468D+01
      3  -0.235083D+01  0.201798D+01  0.152344D+01  0.218468D+01 -0.290633D+01
                91            92            93            94            95 
      1   0.206768D+00 -0.151978D+01 -0.656556D+00 -0.176896D+01 -0.140606D+01
      2  -0.151978D+01 -0.104069D+01  0.115886D+00 -0.140606D+01 -0.105813D+02
      3  -0.656556D+00  0.115886D+00  0.218391D+00 -0.677554D-02 -0.178033D+01
                96            97            98            99           100 
      1  -0.677554D-02 -0.225292D+01  0.276363D+00 -0.706552D+00 -0.579799D+00
      2  -0.178033D+01  0.276363D+00 -0.702450D+00 -0.570643D+00 -0.709228D+00
      3  -0.110484D+01 -0.706552D+00 -0.570643D+00 -0.579361D-01 -0.374698D+00
               101           102           103           104           105 
      1  -0.709228D+00 -0.374698D+00 -0.273600D+01 -0.332553D+01 -0.914657D-01
      2  -0.379125D+00 -0.484737D-01 -0.332553D+01 -0.848366D+01 -0.502882D+00
      3  -0.484737D-01 -0.214950D+00 -0.914657D-01 -0.502882D+00 -0.101826D+01
               106           107           108           109           110 
      1  -0.890320D+00 -0.420496D+00 -0.807040D+00 -0.118797D+02  0.132682D+01
      2  -0.420496D+00 -0.105196D+01 -0.918030D+00  0.132682D+01 -0.105996D+01
      3  -0.807040D+00 -0.918030D+00  0.123038D-01 -0.224235D+01  0.614436D+00
               111           112           113           114           115 
      1  -0.224235D+01  0.525809D+01 -0.160421D+01  0.663895D+00 -0.530842D+01
      2   0.614436D+00 -0.160421D+01  0.754421D+00 -0.892089D+00  0.586735D+00
      3  -0.172786D+01  0.663895D+00 -0.892089D+00  0.987108D+00 -0.334135D+01
               116           117           118           119           120 
      1   0.586735D+00 -0.334135D+01 -0.518165D+01  0.127048D+00  0.212188D+01
      2  -0.115211D+01  0.744562D+00  0.127048D+00 -0.149551D+00  0.681249D-01
      3   0.744562D+00 -0.127514D+01  0.212188D+01  0.681249D-01 -0.195243D+01
               121           122           123           124           125 
      1   0.246481D+01 -0.879056D+00 -0.669663D+00  0.621079D+01  0.676121D+00
      2  -0.879056D+00 -0.233733D+00  0.884991D+00  0.676121D+00  0.103717D+01
      3  -0.669663D+00  0.884991D+00  0.975271D+00 -0.541281D+01  0.305178D+00
               126           127           128           129           130 
      1  -0.541281D+01 -0.551009D+01  0.265309D+01  0.259498D+01  0.246244D+01
      2   0.305178D+00  0.265309D+01 -0.233148D+01 -0.108572D+01 -0.216577D+01
      3   0.749991D+01  0.259498D+01 -0.108572D+01 -0.179404D+01 -0.902544D+00
               131           132           133           134           135 
      1  -0.216577D+01 -0.902544D+00  0.404413D+01 -0.146497D+01 -0.304133D+01
      2   0.194782D+01  0.118721D+01 -0.146497D+01  0.168298D+01  0.220554D+01
      3   0.118721D+01  0.124904D+01 -0.304133D+01  0.220554D+01  0.260360D+01
               136           137           138           139           140 
      1  -0.236774D+01  0.217346D+01 -0.113969D+01  0.205851D+01 -0.233004D+01
      2   0.217346D+01 -0.178051D+01  0.723271D+00 -0.233004D+01  0.394072D+01
      3  -0.113969D+01  0.723271D+00 -0.125769D+01  0.107358D+01 -0.217394D+01
               141           142           143           144           145 
      1   0.107358D+01 -0.277680D+01  0.232108D+01 -0.319108D+01 -0.219282D-01
      2  -0.217394D+01  0.232108D+01 -0.463282D+01  0.330266D+01 -0.180300D+00
      3   0.185163D+01 -0.319108D+01  0.330266D+01 -0.476820D+01  0.670547D+00
               146           147           148           149           150 
      1  -0.180300D+00  0.670547D+00 -0.731612D+00  0.474348D+00 -0.210526D+00
      2   0.225668D+00  0.690603D-02  0.474348D+00  0.418699D+00  0.942936D+00
      3   0.690603D-02  0.534801D+00 -0.210526D+00  0.942936D+00 -0.621014D+00
               151           152           153           154           155 
      1   0.154042D+01 -0.423372D+00  0.635890D+00  0.304304D+00  0.122391D+01
      2  -0.423372D+00  0.150279D+01  0.108977D+01  0.122391D+01  0.576749D+00
      3   0.635890D+00  0.108977D+01  0.710539D+01 -0.114837D+00  0.830857D-01
               156           157           158           159           160 
      1  -0.114837D+00  0.113565D+01  0.406795D+00  0.663341D-01 -0.531681D+00
      2   0.830857D-01  0.406795D+00  0.125891D+02  0.526705D+00  0.613790D-01
      3   0.192353D+00  0.663341D-01  0.526705D+00  0.815769D+00  0.133767D+00
               161           162           163           164           165 
      1   0.613790D-01  0.133767D+00  0.411313D+01  0.338312D+00 -0.330049D+01
      2  -0.101082D+01  0.118107D+01  0.338312D+00 -0.327399D+01 -0.550475D+00
      3   0.118107D+01  0.353707D+00 -0.330049D+01 -0.550475D+00 -0.184912D+01
               166           167           168           169           170 
      1  -0.168541D+00 -0.484426D+01 -0.857088D+00 -0.431806D+01 -0.655725D+00
      2  -0.484426D+01  0.566628D+01 -0.339010D+01 -0.655725D+00 -0.180195D+01
      3  -0.857088D+00 -0.339010D+01 -0.323237D+01 -0.281655D+01 -0.263466D+01
               171           172           173           174           175 
      1  -0.281655D+01 -0.389428D+01 -0.658561D+00 -0.354102D+01 -0.144799D+01
      2  -0.263466D+01 -0.658561D+00 -0.368523D+01 -0.961963D+00 -0.634638D+01
      3  -0.527515D+00 -0.354102D+01 -0.961963D+00 -0.119727D+01 -0.146569D+01
               176           177           178           179           180 
      1  -0.634638D+01 -0.146569D+01 -0.432888D+01 -0.143753D+01 -0.261151D+01
      2   0.523705D+01 -0.173399D+00 -0.143753D+01 -0.600345D+00 -0.289755D+01
      3  -0.173399D+00 -0.291835D+01 -0.261151D+01 -0.289755D+01  0.493857D+01
               181           182           183           184           185 
      1  -0.602927D+01 -0.281937D+00  0.118281D+01 -0.425313D+00 -0.159911D+00
      2  -0.281937D+00 -0.741828D+00  0.669283D+00 -0.159911D+00 -0.716901D+00
      3   0.118281D+01  0.669283D+00 -0.259032D+01  0.290367D+00  0.699661D+00
               186           187           188           189           190 
      1   0.290367D+00  0.895353D+00  0.351416D+00 -0.131055D+01  0.292025D+01
      2   0.699661D+00  0.351416D+00  0.550128D+00  0.753536D-01  0.785086D+00
      3   0.112619D+00 -0.131055D+01  0.753536D-01  0.143369D+01  0.284647D+01
               191           192           193           194           195 
      1   0.785086D+00  0.284647D+01  0.207563D+01  0.170471D+01  0.191444D+01
      2   0.129225D+01  0.636044D+00  0.170471D+01  0.130166D+01  0.196527D+01
      3   0.636044D+00  0.316369D+01  0.191444D+01  0.196527D+01  0.376961D+01
               196           197           198           199           200 
      1   0.198656D+01  0.825742D+00  0.297995D+01  0.174074D+01 -0.194484D+01
      2   0.825742D+00  0.128558D+01  0.164278D+01 -0.194484D+01  0.242911D+01
      3   0.297995D+01  0.164278D+01  0.557679D+01  0.133030D+01 -0.824094D+00
               201           202           203           204           205 
      1   0.133030D+01 -0.243759D+01  0.342022D+01 -0.113503D+01  0.427460D+00
      2  -0.824094D+00  0.342022D+01 -0.795138D+01  0.303444D+01 -0.256756D+00
      3   0.135580D+01 -0.113503D+01  0.303444D+01 -0.208426D+01  0.903621D+00
               206           207           208           209           210 
      1  -0.256756D+00  0.903621D+00  0.453658D+00  0.511525D+00 -0.903254D+00
      2   0.943382D+00 -0.102417D+01  0.511525D+00  0.411401D+00 -0.545674D-01
      3  -0.102417D+01  0.941986D+00 -0.903254D+00 -0.545674D-01  0.839789D+00
               211           212           213           214           215 
      1   0.122367D+01  0.108383D+01 -0.534188D+00 -0.278983D+01 -0.231305D+00
      2   0.108383D+01  0.377936D+00 -0.111536D+01 -0.231305D+00 -0.123071D+01
      3  -0.534188D+00 -0.111536D+01  0.195520D+01  0.279584D+01  0.153072D+01
               216           217           218           219           220 
      1   0.279584D+01  0.361698D+01 -0.224896D+01  0.165706D+00 -0.537093D+01
      2   0.153072D+01 -0.224896D+01  0.220365D+01  0.164812D+00  0.501493D+01
      3  -0.715436D+01  0.165706D+00  0.164812D+00  0.345881D+00  0.615317D+00
               221           222           223           224           225 
      1   0.501493D+01  0.615317D+00  0.101743D+01  0.817182D-01  0.107193D+01
      2  -0.741363D+01 -0.229971D+00  0.817182D-01  0.135456D+00 -0.689830D+00
      3  -0.229971D+00 -0.985360D+00  0.107193D+01 -0.689830D+00 -0.356789D+00
               226           227           228           229           230 
      1   0.777276D+01  0.200019D+01  0.212381D+01  0.486911D+01  0.304292D+01
      2   0.200019D+01  0.156632D+01  0.759917D+00  0.304292D+01  0.152146D+01
      3   0.212381D+01  0.759917D+00  0.137362D+01  0.117769D+01  0.989168D+00
               231           232           233           234 
      1   0.117769D+01  0.554444D+01  0.125615D+01  0.241234D+01
      2   0.989168D+00  0.125615D+01  0.128182D+01  0.116398D+01
      3   0.149916D+01  0.241234D+01  0.116398D+01  0.169180D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.372840D+01 -0.104351D+01 -0.234214D+01 -0.172142D+01  0.719740D+01
      2  -0.353560D+02 -0.140205D+00 -0.379264D+01 -0.325346D+01 -0.413312D+01
      3   0.352100D+02 -0.512275D+01  0.162204D+01  0.185539D+02  0.924720D+01
                 6             7             8             9            10 
      1   0.518150D+00  0.106142D+01  0.396874D+01  0.233461D+01  0.207760D+01
      2  -0.804351D-01 -0.236431D+02 -0.211517D+01 -0.541217D+01 -0.375704D+01
      3   0.297337D+01  0.130768D+02 -0.124622D+01  0.618683D+01 -0.782562D+01
                11            12            13            14            15 
      1  -0.282461D+01 -0.486657D+00 -0.121028D+00 -0.814737D+01 -0.454681D+01
      2   0.636300D+01  0.119282D+01 -0.116330D+01  0.137791D+01  0.141146D+01
      3  -0.232259D+01 -0.582115D+01  0.126920D+02 -0.144117D+02 -0.960794D-01
                16            17            18            19            20 
      1  -0.118105D+01  0.325707D+01 -0.255611D+01 -0.323259D+00  0.210110D+00
      2  -0.501330D+01  0.661400D+01  0.194441D+01  0.283265D+02 -0.222756D+01
      3  -0.134943D+02  0.610493D+00 -0.296023D+01 -0.506261D+02  0.128066D+02
                21            22            23            24            25 
      1   0.414423D+01  0.258038D+01 -0.423239D+01 -0.304819D+01  0.993533D+01
      2  -0.426357D+01 -0.842378D+01  0.471881D+01  0.267993D+01 -0.268238D+02
      3   0.281084D+01  0.251284D+02 -0.722872D+01 -0.320175D+01  0.131240D+02
                26            27            28            29            30 
      1   0.826182D+00 -0.319006D+01  0.980138D+00  0.640020D+00 -0.304701D+01
      2   0.300719D+01  0.797771D+01 -0.275106D+02  0.293826D+01  0.821647D+01
      3  -0.415952D+01 -0.105631D+02  0.446202D+02 -0.174220D+02 -0.580442D+01
                31            32            33            34            35 
      1   0.150387D+01  0.966607D+00  0.110664D+01 -0.833760D+01  0.105296D+02
      2   0.123938D+02 -0.343158D+01 -0.355547D+01  0.364707D+01 -0.244885D+01
      3  -0.191427D+02  0.887773D+01 -0.160179D+01 -0.165625D+02  0.214444D+01
                36            37            38            39            40 
      1   0.371453D+01 -0.103115D+01  0.174018D+00  0.133014D+01  0.954040D+00
      2  -0.649182D+01 -0.194253D+01  0.266318D+01 -0.954197D+01  0.390226D+01
      3   0.810521D+01 -0.250528D+02  0.107549D+01 -0.153386D+01  0.142953D+02
                41            42            43            44            45 
      1   0.314485D+01 -0.285160D+01  0.614143D+01  0.705253D+00 -0.523000D+01
      2  -0.558905D+01  0.562534D+01 -0.362355D+02  0.506714D+01  0.218906D+02
      3   0.236516D+02  0.570287D+01 -0.287822D+01  0.716453D+01 -0.118742D+02
                46            47            48            49            50 
      1   0.360730D+01  0.387867D+00 -0.470706D+01  0.226677D+01 -0.218243D+01
      2   0.697679D+01 -0.200718D+01 -0.438170D+01 -0.184270D+01 -0.426875D+00
      3  -0.966877D+01 -0.616796D+01 -0.491657D+01  0.103570D+02 -0.559251D+01
                51            52            53            54            55 
      1   0.269774D+01 -0.123615D+02  0.125256D+02 -0.234809D+01 -0.192376D+01
      2   0.497936D+01 -0.153085D+02  0.857035D+01 -0.247955D+01 -0.342777D+01
      3   0.317289D+01 -0.745135D+01  0.879220D+01 -0.293748D+01  0.105474D+02
                56            57            58            59            60 
      1  -0.126227D+01  0.234244D+01  0.427701D+00 -0.755514D+01 -0.512093D+01
      2  -0.359828D+00  0.166390D+01 -0.253914D+01  0.139451D+01 -0.690856D+00
      3   0.549724D+01  0.433296D+01  0.117388D+02 -0.590231D+01  0.520732D+00
                61            62            63            64            65 
      1   0.306009D+01  0.336115D+01  0.128487D+02 -0.113686D+01  0.261831D+01
      2  -0.143649D+01 -0.126098D+01  0.310661D+01  0.304740D+02 -0.207619D+01
      3   0.423573D+01  0.193885D+00 -0.106099D+01 -0.981013D+01 -0.109026D+02
                66            67            68            69            70 
      1   0.210712D+01 -0.482607D+01  0.266929D+01 -0.424750D+01 -0.257723D+01
      2   0.125563D+02  0.705042D+01  0.433643D+01  0.358730D+01  0.115221D+02
      3  -0.331033D+00 -0.170379D+02  0.923618D+01 -0.265670D+01 -0.116224D+02
                71            72            73            74            75 
      1   0.568008D+01 -0.221221D-01 -0.190928D+01 -0.401740D+00  0.140923D+01
      2   0.451225D+01 -0.236940D+00  0.548543D+01 -0.940626D+00  0.800113D+00
      3  -0.179847D+01 -0.629273D+01 -0.464571D+01 -0.104526D+01  0.111179D+01
                76            77            78            79            80 
      1   0.421144D+00  0.598792D-02 -0.653626D+00  0.207154D+01  0.346257D+01
      2  -0.415236D+01 -0.910365D+00 -0.145664D+01 -0.282460D+01 -0.926238D+00
      3   0.789215D+01 -0.567381D+00  0.346310D+00  0.131968D+01  0.174855D+01
                81            82            83            84            85 
      1  -0.257673D+01  0.380400D+00  0.841052D-02 -0.177410D+01  0.408694D+00
      2  -0.246628D+01  0.236576D+01 -0.826153D+00  0.213568D+01 -0.573287D+00
      3  -0.100305D+01  0.107602D+01 -0.203310D+01  0.909878D-01  0.366842D+01
                86            87            88            89            90 
      1  -0.127992D+01 -0.279668D+01 -0.947508D+00  0.538169D+00  0.277714D+01
      2  -0.114344D+01  0.118909D+01 -0.203096D+01  0.901260D-01 -0.219263D+01
      3  -0.400204D+01  0.125716D+01 -0.371088D+00  0.202514D+01 -0.115083D+00
                91            92            93            94            95 
      1  -0.740617D+00  0.119963D+01 -0.390535D+00  0.118300D+01  0.635897D+01
      2   0.515141D+00 -0.134646D+01 -0.200420D+00 -0.181361D+01 -0.781525D+00
      3  -0.501606D+00 -0.185269D-02  0.988341D+00  0.445013D+01 -0.758327D+01
                96            97            98            99           100 
      1  -0.408653D+01 -0.379290D+01  0.866609D+00  0.972037D+00 -0.737470D+00
      2   0.148557D+01 -0.227960D+01  0.871747D-01 -0.899941D+00  0.136622D+01
      3  -0.108662D+01  0.607166D+01 -0.799639D+00  0.476575D+00 -0.291129D+01
               101           102           103           104           105 
      1  -0.497642D+00 -0.150472D+00 -0.586738D+00 -0.222465D+01 -0.399762D+01
      2   0.381213D+00  0.148188D+01  0.252278D+00  0.178351D+01  0.408660D+01
      3  -0.225702D+01  0.369686D+00 -0.512001D+01 -0.275770D+02 -0.201439D+01
               106           107           108           109           110 
      1  -0.123089D+00 -0.194542D+00 -0.429182D+00 -0.145926D+00  0.935276D+00
      2   0.149999D+01  0.246484D+01 -0.916703D-01  0.878507D+01 -0.218611D+01
      3  -0.267638D+00 -0.341088D+01 -0.188890D+01  0.161662D+02 -0.780158D+01
               111           112           113           114           115 
      1  -0.106001D+01  0.170501D+00 -0.908565D+00 -0.182354D+00 -0.132865D+01
      2   0.895572D+01 -0.363752D+01  0.321882D+01 -0.419059D+01  0.122777D+02
      3   0.446174D+01 -0.909916D+01  0.436717D+01 -0.385451D+01  0.691061D+01
               116           117           118           119           120 
      1   0.157441D+01 -0.743410D+00  0.227103D+01 -0.636158D+00 -0.180270D+01
      2  -0.294219D+01  0.496935D+01 -0.747634D+01 -0.674618D+00  0.823291D+01
      3  -0.596822D+01  0.571470D+01  0.680426D+01 -0.204696D+01 -0.226961D+01
               121           122           123           124           125 
      1  -0.968394D+00  0.999215D+00  0.497541D+00 -0.354016D+01  0.317661D+01
      2   0.219043D+01 -0.289069D+01 -0.390567D+01  0.193134D+02 -0.111593D+01
      3  -0.307696D+01  0.945853D-01  0.319591D+01 -0.443738D+01  0.454079D+01
               126           127           128           129           130 
      1   0.710986D+01 -0.470766D+01  0.116957D+01  0.392466D+01  0.108057D+01
      2  -0.288331D+02 -0.532356D+01  0.319815D+01  0.581257D+01  0.209361D+01
      3   0.676246D+01 -0.375476D+01 -0.456555D+01  0.150950D+01  0.792229D+00
               131           132           133           134           135 
      1  -0.153223D+01 -0.295948D+01  0.531799D+01 -0.168955D+01 -0.460514D+01
      2  -0.279059D+01 -0.341188D+01  0.451041D+01 -0.509348D+01 -0.665876D+01
      3   0.796952D+00  0.812939D+00  0.523134D+01  0.211486D+01  0.164094D+00
               136           137           138           139           140 
      1   0.179667D+01 -0.120824D+01  0.232915D+01 -0.137743D+01  0.239582D+01
      2   0.136411D+01 -0.680468D+00  0.374453D+01 -0.309986D+00  0.324471D+01
      3   0.137746D+01 -0.174365D+01  0.301004D+00 -0.978783D+00  0.749337D+01
               141           142           143           144           145 
      1  -0.461791D+01  0.638783D+01 -0.470910D+01  0.824461D+01 -0.251608D+01
      2  -0.397367D+01  0.436497D+01 -0.609717D+01  0.911468D+01 -0.487517D+00
      3  -0.312882D+01  0.906709D+00 -0.988980D+01  0.337878D+01 -0.419995D+00
               146           147           148           149           150 
      1   0.105324D+01 -0.179825D+01  0.124225D+01 -0.179775D+01  0.185651D+01
      2   0.386664D+00 -0.181156D+00  0.182965D+01 -0.162427D+01  0.904765D+00
      3  -0.272842D+01  0.172769D+01 -0.194258D+01  0.818827D+00  0.125160D+00
               151           152           153           154           155 
      1  -0.218429D+01  0.199827D+01 -0.159297D+02  0.961572D+00  0.385688D+00
      2  -0.419464D+01  0.115545D+00 -0.376543D+01  0.762661D+00 -0.608073D+00
      3   0.463743D+01 -0.737588D+00  0.118277D+01  0.683523D+00  0.145226D+01
               156           157           158           159           160 
      1  -0.544548D+00 -0.150350D+00  0.476775D+01 -0.457828D+01 -0.713296D+00
      2   0.915503D+00 -0.132360D+01 -0.914126D+00 -0.291096D+00 -0.660542D+00
      3  -0.836695D+00  0.729424D+01  0.580323D+01  0.252559D+00 -0.140023D+01
               161           162           163           164           165 
      1  -0.170196D+01 -0.333521D+00 -0.130752D+01 -0.696062D+01 -0.256969D+01
      2  -0.367176D+00 -0.615587D+00 -0.177135D+02 -0.255511D+01  0.726134D+01
      3  -0.892682D+00  0.123539D+01 -0.420313D+01  0.342930D+01  0.406759D+01
               166           167           168           169           170 
      1  -0.110667D+02  0.859719D+01 -0.124454D+02 -0.353322D+01 -0.511509D+01
      2  -0.398536D+01  0.116953D+01 -0.374328D+01 -0.728615D+00 -0.332341D+01
      3   0.111744D+02 -0.733698D+01  0.657858D+01  0.509202D+01  0.446848D+01
               171           172           173           174           175 
      1  -0.668566D+01 -0.116442D+01  0.109818D+01 -0.473344D+00  0.265081D+01
      2   0.806379D+00 -0.153077D+02 -0.370052D+01 -0.626205D+01 -0.554655D+01
      3   0.690381D+01  0.541075D+01  0.139229D+02  0.475926D+01  0.305074D+02
               176           177           178           179           180 
      1  -0.273844D+01 -0.254550D+01 -0.504478D+00  0.111481D+01  0.333380D+01
      2  -0.481789D+01 -0.117156D+02 -0.173692D+02 -0.110752D+02  0.174238D+02
      3  -0.173637D+02  0.119975D+01  0.748304D+01  0.193003D+01  0.118075D+02
               181           182           183           184           185 
      1  -0.871440D-01 -0.229041D+01 -0.146349D+01 -0.142752D+01  0.152385D+00
      2   0.202386D+02  0.101876D+01 -0.413715D+01  0.112552D+01  0.186335D+01
      3   0.700503D+01 -0.564864D+00 -0.137393D+01  0.232925D+01  0.878489D+00
               186           187           188           189           190 
      1   0.497380D-01 -0.122462D+01  0.205778D+01  0.778491D+00  0.398409D+01
      2  -0.237140D+00 -0.578481D+01 -0.499399D+00  0.411183D+01  0.851941D+00
      3  -0.726902D+00 -0.732206D+00 -0.115809D+00  0.113916D+01 -0.309444D+01
               191           192           193           194           195 
      1   0.422832D+01  0.361860D+01  0.477252D+01  0.548913D+01  0.542508D+01
      2  -0.400293D+00  0.317207D+01 -0.940375D+00  0.146509D+01  0.486217D+01
      3  -0.393993D+01 -0.325522D+01 -0.320147D+01 -0.413842D+01 -0.480778D+01
               196           197           198           199           200 
      1   0.438324D+01  0.602582D+01  0.748918D+01 -0.253673D+01  0.436699D+01
      2  -0.187332D+01  0.140997D+01  0.623153D+01 -0.361626D+00  0.126208D+01
      3  -0.198123D+01 -0.385351D+01 -0.493361D+01  0.175546D+01 -0.409512D+01
               201           202           203           204           205 
      1   0.883142D+00  0.586596D+01 -0.131282D+02  0.842022D+00  0.491763D-01
      2   0.189575D+01  0.318581D+01  0.758873D+00 -0.330391D+01 -0.536342D+00
      3   0.879503D+00 -0.117493D+01  0.118010D+02 -0.453077D+01 -0.372475D+00
               206           207           208           209           210 
      1   0.231006D+01 -0.988838D+00 -0.605252D+00 -0.382841D+00  0.381445D+00
      2  -0.736165D+00  0.528187D+00 -0.341578D+01  0.281376D-01  0.345569D+01
      3  -0.124016D+01  0.871563D+00 -0.179199D+01 -0.198807D+01  0.765543D+00
               211           212           213           214           215 
      1  -0.387584D+00 -0.113457D+01  0.260540D+00  0.817027D+00  0.389822D+01
      2  -0.434067D+00 -0.280324D+01  0.685778D+01  0.429776D+01  0.551375D+01
      3  -0.254754D+01 -0.191383D+01  0.390517D+01  0.123706D+01  0.519932D+01
               216           217           218           219           220 
      1  -0.271955D+01  0.957320D+00 -0.996659D+00  0.779886D+00 -0.118066D+01
      2  -0.236640D+02  0.219075D+01 -0.542615D+00  0.287593D+01 -0.330515D+00
      3  -0.661701D+01  0.626441D+01 -0.865734D+01 -0.727294D+00 -0.128725D+02
               221           222           223           224           225 
      1   0.334909D+01 -0.320589D+01  0.330239D+00  0.404707D+00  0.832957D-01
      2   0.190488D+01 -0.442283D+01  0.265497D+01 -0.177051D+01 -0.826725D+00
      3   0.255021D+02  0.296517D+00 -0.142471D+01 -0.467141D+00  0.161041D+01
               226           227           228           229           230 
      1   0.128623D+00  0.290754D-01 -0.640032D+00 -0.254557D+00  0.113401D+00
      2   0.109172D+02  0.368710D+01  0.846119D+01  0.624588D+01  0.502036D+01
      3  -0.100191D+02 -0.863997D+01 -0.358447D+01 -0.112464D+02 -0.754596D+01
               231           232           233           234 
      1  -0.143931D+01  0.199052D+00  0.991222D+00 -0.672341D+00
      2   0.730966D+01  0.922213D+01  0.491497D+01  0.799098D+01
      3  -0.409534D+01 -0.633028D+01 -0.635305D+01 -0.529287D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.349842D+01  0.119439D+01 -0.791737D+01  0.310230D+01 -0.330319D+01
      2   0.114841D+02 -0.295878D+01 -0.130432D+01 -0.888581D+00  0.616502D+01
      3  -0.149825D+02  0.176439D+01  0.922169D+01 -0.221372D+01 -0.286183D+01
      4   0.158556D+02  0.305695D+01 -0.273496D+01 -0.142400D+01  0.305685D-02
      5   0.194516D+01 -0.378159D+01 -0.107869D+02  0.294057D+01 -0.152541D+01
      6  -0.719170D+00 -0.104956D+01  0.162596D+01  0.123214D+00  0.752045D+01
                 6             7             8             9            10 
      1   0.582578D+01 -0.253368D+02  0.424847D+00  0.954969D+01 -0.739633D+01
      2   0.336918D+00  0.147128D+01  0.374439D+01  0.821023D+01  0.499399D+01
      3  -0.616270D+01  0.238655D+02 -0.416924D+01 -0.177599D+02  0.240234D+01
      4  -0.126844D+01 -0.661399D+01  0.436937D+01  0.756528D+01  0.506491D+01
      5   0.267550D+01 -0.163494D+02  0.490975D+01  0.129070D+02  0.188236D+00
      6  -0.173820D+01  0.848258D+01 -0.207726D+01 -0.992908D+01  0.501203D+01
                11            12            13            14            15 
      1   0.787515D+01 -0.482871D+01  0.797544D+01 -0.115752D+02 -0.226180D+01
      2   0.340832D+00  0.484458D+01 -0.309305D+01  0.125595D+02  0.411357D+01
      3  -0.821598D+01 -0.158662D-01 -0.488239D+01 -0.984320D+00 -0.185177D+01
      4  -0.540380D+01  0.835067D+01 -0.827269D+01  0.133703D+01  0.713207D+01
      5   0.802976D+01 -0.476603D+01  0.171331D+01  0.476824D+01 -0.376130D+01
      6   0.427694D+01 -0.573005D+01  0.682387D+01  0.502016D+01 -0.397092D+01
                16            17            18            19            20 
      1  -0.687126D+01  0.675789D+01 -0.243368D+01 -0.524321D+02  0.121582D+02
      2   0.502342D+01 -0.148541D+01  0.130345D+01  0.182307D+02 -0.962620D+01
      3   0.184784D+01 -0.527248D+01  0.113023D+01  0.342013D+02 -0.253200D+01
      4   0.131628D+02  0.485547D+01 -0.420418D+01 -0.159741D+02 -0.906541D+01
      5  -0.615792D+01 -0.304150D+01  0.460424D+01 -0.198486D+01  0.178383D+01
      6  -0.554898D+01 -0.602351D+01  0.791459D+01  0.472800D+01 -0.164207D+01
                21            22            23            24            25 
      1   0.430775D+01  0.291330D+02  0.639041D+01 -0.240558D+01  0.187603D+02
      2  -0.381574D+00 -0.236167D+02 -0.224341D+02 -0.317994D+01 -0.390141D+00
      3  -0.392618D+01 -0.551633D+01  0.160436D+02  0.558551D+01 -0.183701D+02
      4   0.225831D+01 -0.254961D+01 -0.122171D+02 -0.158302D+01  0.347941D+01
      5  -0.225071D+01 -0.589067D+01 -0.337420D+01  0.271106D+01  0.245981D+01
      6  -0.472387D+01 -0.551342D+01 -0.831312D+01  0.537911D+01 -0.122287D+02
                26            27            28            29            30 
      1  -0.349047D+01 -0.241373D+02  0.724510D+02 -0.219472D+02 -0.140754D+02
      2  -0.551430D+01  0.968191D+00 -0.375376D+02  0.106315D+02  0.398833D+01
      3   0.900477D+01  0.231691D+02 -0.349134D+02  0.113157D+02  0.100871D+02
      4   0.496162D+01  0.177049D+01  0.448621D+01  0.643640D+01  0.109942D+01
      5   0.328600D+01  0.948960D+01 -0.227526D+01  0.318072D+01  0.115777D+02
      6   0.128804D+02  0.121378D+02 -0.435843D+01  0.672051D+01  0.493458D+01
                31            32            33            34            35 
      1  -0.232510D+02  0.703060D+01  0.211002D+01 -0.160695D+02  0.472036D+01
      2   0.863429D+01  0.771859D+01  0.128042D+01  0.467218D+01 -0.106214D+01
      3   0.146167D+02 -0.147492D+02 -0.339044D+01  0.113973D+02 -0.365823D+01
      4   0.149992D+02  0.179959D+01  0.154061D+00  0.589310D+00  0.447719D+00
      5  -0.197696D+01  0.412051D+01 -0.479847D+01  0.239317D+02 -0.419800D+01
      6   0.638800D+01 -0.590015D+01 -0.260599D+01  0.603055D+01  0.191255D+01
                36            37            38            39            40 
      1   0.111654D+02 -0.688819D+02  0.222602D+02 -0.100973D+02  0.337100D+02
      2  -0.119659D+02  0.423188D+02 -0.125773D+02  0.256781D+01 -0.248149D+02
      3   0.800438D+00  0.265631D+02 -0.968294D+01  0.752954D+01 -0.889512D+01
      4  -0.310053D+00  0.890703D+01  0.211660D+01  0.421678D+01 -0.692355D+01
      5  -0.467717D+01 -0.140235D+02  0.415201D+01 -0.222209D+02  0.576415D+01
      6  -0.638000D+01  0.111739D+01 -0.213177D+00 -0.271543D+01 -0.893592D+00
                41            42            43            44            45 
      1   0.642081D+01  0.782953D+01 -0.176343D+02  0.750446D+01 -0.302466D+02
      2  -0.210007D+02 -0.528207D+01  0.281361D+00 -0.629318D+01  0.280884D+02
      3   0.145799D+02 -0.254746D+01  0.173530D+02 -0.121128D+01  0.215815D+01
      4  -0.399253D+02 -0.820781D+01  0.379457D+01 -0.921284D+01  0.287530D+01
      5  -0.103265D+02  0.109826D+02 -0.542134D+02  0.999361D+01  0.369836D+02
      6  -0.267819D+01  0.252609D+01 -0.783561D+01  0.169053D+01  0.748070D+01
                46            47            48            49            50 
      1   0.761209D+01  0.740246D+01  0.851255D+01  0.654337D+01 -0.114584D+02
      2  -0.503182D+01 -0.299706D+01 -0.393754D+01 -0.219600D+00  0.784306D+01
      3  -0.258027D+01 -0.440540D+01 -0.457502D+01 -0.632377D+01  0.361529D+01
      4   0.165279D+02 -0.153132D+02 -0.701720D+01 -0.256372D+02  0.871217D+01
      5   0.116736D+02 -0.510361D+01 -0.136561D+02  0.156863D+01 -0.471980D+01
      6  -0.945221D+01 -0.272649D+01  0.110680D+02 -0.584147D+01  0.101194D+02
                51            52            53            54            55 
      1  -0.111673D+01  0.826676D+01 -0.490157D+01 -0.632273D+01 -0.104479D+02
      2   0.213326D+01 -0.446246D+01  0.469439D+01  0.708234D+00  0.798596D+01
      3  -0.101653D+01 -0.380429D+01  0.207172D+00  0.561450D+01  0.246196D+01
      4  -0.219438D+01 -0.324348D+00 -0.104171D+02  0.232815D+02  0.177228D+00
      5   0.116508D+02 -0.257717D+02  0.206316D+02 -0.569884D+01 -0.133977D+01
      6  -0.116047D+02  0.208970D+02 -0.227507D+02  0.997617D+01  0.704883D+01
                56            57            58            59            60 
      1   0.149873D+01 -0.108362D+01 -0.197414D+01  0.315509D+02 -0.128704D+01
      2  -0.599814D+01  0.138078D+01 -0.564821D+00 -0.526420D+02 -0.148967D+01
      3   0.449941D+01 -0.297161D+00  0.253896D+01  0.210911D+02  0.277671D+01
      4  -0.169641D+00  0.274506D+01  0.615354D+01  0.481405D+01 -0.679581D+00
      5   0.180850D+01  0.262861D-01 -0.990653D+00 -0.149727D+01 -0.172061D+00
      6   0.363445D+00 -0.199645D+01 -0.268122D+00 -0.343053D+01  0.408350D+01
                61            62            63            64            65 
      1  -0.169577D+01 -0.155293D+01  0.117240D+02  0.657497D+01 -0.355922D+01
      2   0.137726D+01  0.523611D+01  0.656954D+01 -0.105666D+02  0.276823D+00
      3   0.318509D+00 -0.368318D+01 -0.182935D+02  0.399166D+01  0.328240D+01
      4  -0.115176D+01  0.806998D+00 -0.500446D+01 -0.912315D+01  0.899090D+01
      5   0.478580D+01 -0.174665D+01  0.898143D+00  0.169016D+02 -0.124857D+01
      6  -0.327933D+01  0.320398D+01 -0.168375D+02 -0.479049D+01  0.319910D+01
                66            67            68            69            70 
      1   0.160505D+02 -0.546239D+01  0.151287D+02 -0.340739D+00  0.228130D+02
      2  -0.102433D+02  0.864075D+00 -0.564691D+01 -0.161701D+01 -0.138235D+02
      3  -0.580717D+01  0.459832D+01 -0.948182D+01  0.195775D+01 -0.898944D+01
      4  -0.317444D+01  0.200685D+02 -0.166572D+02  0.333371D+01 -0.594145D+01
      5   0.110271D+02 -0.177454D+00  0.522059D+01  0.484532D+01  0.189765D+02
      6   0.599410D+00  0.774702D+00 -0.490427D+01  0.232212D+01 -0.326255D+01
                71            72            73            74            75 
      1  -0.168247D+01  0.489559D+01 -0.227216D+01 -0.116192D+00  0.405737D+01
      2  -0.126877D+01 -0.826257D+01 -0.547402D+01  0.147984D+01  0.424974D+01
      3   0.295124D+01  0.336698D+01  0.774618D+01 -0.136365D+01 -0.830711D+01
      4   0.180926D+01  0.327651D+01 -0.685105D+01  0.458474D+01  0.398445D+01
      5   0.467935D+01 -0.587229D+01 -0.877160D+01  0.357055D+01  0.129429D+02
      6   0.350804D+01  0.181983D+01  0.462745D+01 -0.230061D+01 -0.400739D+01
                76            77            78            79            80 
      1   0.459728D+01 -0.693480D+01 -0.728638D+01  0.656092D+01 -0.735204D+01
      2  -0.838596D+00  0.109453D+01 -0.163793D+00  0.629632D+01 -0.267790D+01
      3  -0.375869D+01  0.584028D+01  0.745017D+01 -0.128572D+02  0.100299D+02
      4   0.445145D+01 -0.203740D+01 -0.406992D+01  0.536912D+01 -0.410007D+01
      5   0.381987D+01 -0.406790D+01 -0.476317D+01  0.145359D+02 -0.600353D+01
      6  -0.289071D+01  0.598080D+01  0.104715D+02 -0.466434D+01  0.992640D+01
                81            82            83            84            85 
      1  -0.268809D+02  0.587309D+01 -0.151526D+01  0.690977D+00 -0.124797D+01
      2  -0.150873D+02 -0.189404D+01  0.281799D+01 -0.516111D+00  0.324113D+01
      3   0.419682D+02 -0.397905D+01 -0.130274D+01 -0.174867D+00 -0.199315D+01
      4  -0.773169D+01  0.112859D+02  0.124197D+02 -0.842947D+01  0.111331D+02
      5  -0.198325D+02 -0.704979D+01 -0.687685D+01  0.850931D+01 -0.556527D+01
      6   0.170170D+02 -0.795973D+01 -0.688698D+01  0.671227D+01 -0.720336D+01
                86            87            88            89            90 
      1  -0.106186D+02  0.492382D+01  0.174032D+00  0.504338D+01 -0.689836D+01
      2   0.137223D+02 -0.509801D+01  0.215854D+00 -0.424275D+01  0.463863D+00
      3  -0.310361D+01  0.174184D+00 -0.389886D+00 -0.800628D+00  0.643450D+01
      4   0.164006D+02 -0.951712D+01 -0.870522D+01 -0.977273D+01  0.101696D+02
      5  -0.771917D+01  0.598659D+01  0.775017D+01  0.746855D+01 -0.969960D+01
      6  -0.150468D+02  0.127802D+02  0.776179D+01  0.136643D+02 -0.141060D+02
                91            92            93            94            95 
      1  -0.295312D+01  0.819981D+00  0.192986D+01  0.125774D+01 -0.336481D+02
      2   0.432849D+01  0.297608D+01 -0.684577D+00  0.265328D+01  0.491781D+02
      3  -0.137537D+01 -0.379606D+01 -0.124528D+01 -0.391102D+01 -0.155300D+02
      4   0.297909D+01  0.101392D+02  0.139856D+01  0.923402D+01  0.205188D+02
      5   0.131558D+01  0.181531D+01  0.161314D+01  0.239392D+01  0.533802D+01
      6   0.377786D+01  0.684541D-01 -0.341021D-01  0.132504D+01  0.164618D+02
                96            97            98            99           100 
      1  -0.708773D+01  0.356108D+01 -0.343707D+01 -0.117501D+01  0.444380D+01
      2   0.683079D+01 -0.326186D+01  0.358610D+01  0.319992D+01  0.770702D+00
      3   0.256943D+00 -0.299212D+00 -0.149033D+00 -0.202492D+01 -0.521451D+01
      4   0.330156D+01  0.152476D+01 -0.224650D+00  0.123396D+01  0.658178D+01
      5   0.314365D+01  0.270143D+01  0.138829D+01 -0.190734D+00  0.268427D+01
      6   0.927953D+01  0.335912D+01  0.549953D+01  0.168022D+01  0.798727D+00
               101           102           103           104           105 
      1   0.582122D+01  0.265470D+01  0.951387D+01 -0.681764D+01 -0.826637D+00
      2  -0.183330D+01 -0.100408D+01  0.456496D+01  0.313581D+02  0.199098D+01
      3  -0.398792D+01 -0.165062D+01 -0.140788D+02 -0.245405D+02 -0.116434D+01
      4   0.922083D+01  0.867266D+00  0.273770D+02  0.569959D+02  0.372356D+01
      5   0.223046D+00  0.293462D+01  0.974241D+00  0.467539D+01  0.776620D+01
      6   0.218038D+00  0.184491D+00  0.419398D+00  0.351495D+00  0.635114D+01
               106           107           108           109           110 
      1   0.494040D+01 -0.896465D+00  0.508828D+00  0.886618D+02 -0.121570D+02
      2  -0.109547D+01  0.277901D+01  0.565570D+00 -0.482930D+02  0.803617D+01
      3  -0.384493D+01 -0.188254D+01 -0.107440D+01 -0.403688D+02  0.412080D+01
      4   0.359513D+01  0.727489D+01  0.579608D+01 -0.797472D+00  0.102272D+02
      5   0.706308D+01  0.562809D+01 -0.645347D-01  0.274767D+02 -0.500028D+01
      6   0.248682D+01  0.660692D+01  0.128755D+01  0.997676D+00 -0.176553D+00
               111           112           113           114           115 
      1   0.194481D+02 -0.366828D+02  0.104335D+02 -0.594670D+01  0.407089D+02
      2  -0.112139D+02  0.209295D+02 -0.429559D+01  0.417481D+01 -0.225976D+02
      3  -0.823427D+01  0.157533D+02 -0.613790D+01  0.177188D+01 -0.181113D+02
      4  -0.248415D+01  0.113399D+02 -0.574526D+01  0.627835D+01 -0.799416D+00
      5   0.178894D+02 -0.955467D+01  0.748502D+01 -0.819173D+01  0.330437D+02
      6   0.198378D+01  0.177884D+01 -0.459824D+00  0.677865D+00  0.274857D+01
               116           117           118           119           120 
      1  -0.538270D+01  0.194141D+02  0.290606D+02 -0.224509D+01 -0.118467D+02
      2   0.467315D+01 -0.153333D+02 -0.198099D+02  0.169638D+01  0.929452D+01
      3   0.709547D+00 -0.408079D+01 -0.925072D+01  0.548713D+00  0.255222D+01
      4   0.857908D+01 -0.257953D+01  0.401591D+01  0.326795D+01 -0.266164D+01
      5  -0.618456D+01  0.129462D+02 -0.164600D+02 -0.477814D+00  0.197832D+02
      6   0.123413D+01  0.128488D+00 -0.325718D+01 -0.646228D+00  0.316341D+01
               121           122           123           124           125 
      1  -0.145576D+02  0.142127D+01  0.253254D+01 -0.249743D+02 -0.202298D+01
      2   0.106327D+02 -0.555882D+00 -0.399369D+01  0.231048D+02 -0.938609D+00
      3   0.392494D+01 -0.865392D+00  0.146114D+01  0.186944D+01  0.296159D+01
      4   0.597451D+01  0.181680D+01 -0.591555D+01 -0.994490D+01 -0.930215D+01
      5   0.464376D+01 -0.598433D+01 -0.698806D+01  0.454172D+02 -0.199526D+01
      6  -0.201090D+01 -0.855562D-01  0.331445D+01  0.807343D+01  0.423694D+01
               126           127           128           129           130 
      1   0.159952D+02  0.215704D+02 -0.658806D+01 -0.935184D+01 -0.478455D+01
      2  -0.267516D+02 -0.886766D+01 -0.237139D-01  0.466386D+01 -0.190561D+01
      3   0.107564D+02 -0.127028D+02  0.661178D+01  0.468798D+01  0.669016D+01
      4   0.246317D+01 -0.234200D+02  0.176858D+02  0.102124D+02  0.158250D+02
      5  -0.557131D+02 -0.177148D+02  0.725460D+01  0.129997D+02  0.574629D+01
      6  -0.115188D+02  0.938979D+01 -0.481137D+01 -0.711818D+01 -0.483330D+01
               131           132           133           134           135 
      1   0.161128D+01  0.378183D+00 -0.120059D+02  0.765376D+00  0.357991D+01
      2   0.407292D+01  0.217896D+01  0.704895D+01  0.158918D+01 -0.408564D+01
      3  -0.568421D+01 -0.255714D+01  0.495691D+01 -0.235456D+01  0.505724D+00
      4  -0.140714D+02 -0.758010D+01  0.146596D+02 -0.119110D+02 -0.143709D+02
      5  -0.689968D+01 -0.669242D+01  0.190362D+02 -0.119271D+02 -0.156505D+02
      6   0.615259D+01  0.738452D+01 -0.116852D+02  0.111211D+02  0.959417D+01
               136           137           138           139           140 
      1   0.608258D+01 -0.484798D+01  0.309637D+01 -0.689894D+00 -0.527939D+01
      2  -0.209269D+01  0.598610D+00 -0.214599D+01 -0.353071D+01  0.102825D+02
      3  -0.398990D+01  0.424937D+01 -0.950389D+00  0.422061D+01 -0.500313D+01
      4  -0.140003D+02  0.135914D+02 -0.601980D+01  0.146748D+02 -0.174103D+02
      5   0.787910D+01 -0.504708D+01  0.996818D+01 -0.542882D+01  0.101322D+02
      6  -0.621758D+01  0.463835D+01 -0.573412D+01  0.718143D+01 -0.141723D+02
               141           142           143           144           145 
      1   0.303097D+01  0.398604D+01  0.578628D+01 -0.255029D+01  0.379645D+00
      2  -0.457219D+01 -0.209001D+01 -0.690690D+01 -0.292484D+01 -0.354028D+01
      3   0.154121D+01 -0.189604D+01  0.112062D+01  0.547513D+01  0.316064D+01
      4   0.105011D+02 -0.152256D+02  0.202660D+02 -0.178151D+02  0.490102D+00
      5  -0.855007D+01  0.184637D+02 -0.162713D+02  0.212064D+02  0.100046D+01
      6   0.131623D+02 -0.154102D+02  0.213609D+02 -0.223818D+02  0.918605D+00
               146           147           148           149           150 
      1  -0.828124D+00 -0.796925D+00  0.378257D+00 -0.459693D+01 -0.936282D+00
      2   0.152223D+01 -0.547293D+00  0.939426D+00  0.375946D+01  0.382304D+01
      3  -0.694106D+00  0.134422D+01 -0.131768D+01  0.837470D+00 -0.288676D+01
      4   0.241660D+01  0.177879D+01 -0.237622D+00  0.381653D+00  0.450644D-01
      5  -0.335505D+00  0.559531D+01 -0.121131D+00  0.380005D+00  0.631023D-01
      6   0.116915D+01  0.153161D+01  0.503947D+00  0.254734D+01  0.234971D+01
               151           152           153           154           155 
      1  -0.598752D+00 -0.732233D+01 -0.196174D+02 -0.158097D+01 -0.309954D+01
      2  -0.145263D+01  0.506687D+01 -0.888314D+01  0.654921D+01  0.459836D+01
      3   0.205139D+01  0.225545D+01  0.285006D+02 -0.496824D+01 -0.149883D+01
      4   0.372992D+01  0.242564D+00  0.250880D+01  0.137343D-01  0.105131D+02
      5   0.365872D+01 -0.600939D+00 -0.951524D+00  0.298862D+00  0.847561D+00
      6   0.112119D+01  0.867877D+01  0.231944D+02 -0.533428D+00  0.447461D+00
               156           157           158           159           160 
      1  -0.361805D+00 -0.176205D+01 -0.487014D+02 -0.266358D+01  0.382370D-01
      2  -0.646475D-01  0.168755D+01  0.810076D+02  0.284946D+01  0.210135D+00
      3   0.426452D+00  0.745014D-01 -0.323062D+02 -0.185880D+00 -0.248372D+00
      4  -0.221420D+00  0.756145D+01 -0.314383D+01 -0.918383D-01 -0.806785D+00
      5   0.144506D+01  0.148342D+00  0.882360D+00 -0.247432D+00  0.545156D+00
      6   0.799846D+00  0.309984D+00  0.685880D+01  0.783732D+01  0.680147D+00
               161           162           163           164           165 
      1   0.270741D+01 -0.618523D+01  0.207689D+02 -0.191137D+01 -0.674720D+01
      2  -0.524013D+01  0.611043D+01 -0.369377D+01  0.100479D+02  0.915522D+01
      3   0.253272D+01  0.748011D-01 -0.170752D+02 -0.813649D+01 -0.240801D+01
      4   0.997337D+00 -0.751195D-01 -0.527757D+01 -0.103809D+02  0.521439D+00
      5  -0.580641D+00  0.166330D-01 -0.385850D+01 -0.130298D+01 -0.154697D+02
      6   0.975653D+01  0.107244D+01  0.213713D+01 -0.114156D+02 -0.381229D+01
               166           167           168           169           170 
      1  -0.239959D+01 -0.892210D+00 -0.998201D+00 -0.762394D+01  0.989735D+00
      2   0.157381D+02 -0.669955D+01  0.162341D+02  0.107798D+02  0.114615D+02
      3  -0.133385D+02  0.759176D+01 -0.152359D+02 -0.315588D+01 -0.124512D+02
      4  -0.185588D+02  0.244261D+02 -0.135991D+02  0.332586D+00 -0.760518D+01
      5  -0.346304D+01 -0.202991D+02 -0.143767D+02 -0.223285D+02 -0.110597D+02
      6  -0.163864D+02  0.180279D+02 -0.102620D+02 -0.485562D+01 -0.614913D+01
               171           172           173           174           175 
      1  -0.107511D+02 -0.882078D+01 -0.102911D+02 -0.241130D+02 -0.164001D+02
      2   0.957228D+01  0.354720D+00  0.985217D+01  0.111955D+02  0.167640D+02
      3   0.117880D+01  0.846606D+01  0.438948D+00  0.129175D+02 -0.363912D+00
      4  -0.843255D+01 -0.883666D+01 -0.272222D+02 -0.686829D+01 -0.461501D+02
      5  -0.931306D+01 -0.265590D+02 -0.705245D+01 -0.941153D+01 -0.114287D+02
      6  -0.132546D+02 -0.204863D+00  0.199421D+01 -0.519735D+00  0.340663D+01
               176           177           178           179           180 
      1  -0.268564D+02 -0.105863D+02 -0.318727D+02 -0.105912D+02 -0.877547D+01
      2   0.444868D+01  0.253407D+01  0.116302D+02  0.186580D+01  0.142442D+02
      3   0.224078D+02  0.805221D+01  0.202425D+02  0.872541D+01 -0.546871D+01
      4   0.365260D+02 -0.274685D+01 -0.113126D+02 -0.428682D+01 -0.189611D+02
      5  -0.100844D+01 -0.187539D+02 -0.171736D+02 -0.184534D+02  0.302555D+02
      6  -0.433732D+01 -0.127280D+01 -0.152797D+01  0.137998D+01  0.142768D+01
               181           182           183           184           185 
      1  -0.134505D+02 -0.254968D+01  0.115852D+02 -0.539325D+00 -0.347428D+01
      2   0.427429D+01  0.137332D+00  0.103426D+01 -0.117303D+01  0.280580D+01
      3   0.917616D+01  0.241235D+01 -0.126195D+02  0.171235D+01  0.668483D+00
      4   0.807934D+01  0.119574D+01 -0.702810D+00  0.380082D+01 -0.143742D+01
      5  -0.121248D+02  0.198992D+00  0.221928D+01 -0.783895D-01  0.700019D+00
      6  -0.154460D+01 -0.396725D+01  0.557707D+01 -0.100050D+01 -0.299424D+01
               186           187           188           189           190 
      1   0.184259D+01  0.788472D+01  0.144266D+01 -0.642861D+01  0.724078D+01
      2  -0.266960D+01  0.309738D+00 -0.110191D+01 -0.305281D+01 -0.122982D+02
      3   0.827019D+00 -0.819446D+01 -0.340751D+00  0.948142D+01  0.505745D+01
      4   0.924502D+00 -0.739498D+00 -0.360656D+00  0.277923D+01  0.425862D+01
      5   0.235691D+01  0.645063D+01  0.167154D+01 -0.294008D+01  0.198447D+02
      6   0.395872D+01  0.327175D+01  0.300365D+01 -0.145232D+01  0.342826D+01
               191           192           193           194           195 
      1   0.329295D+01  0.332861D+01  0.481940D+01 -0.387336D+00 -0.313747D+01
      2  -0.537494D+01 -0.127305D+02 -0.949584D+01 -0.294828D+01 -0.116233D+02
      3   0.208198D+01  0.940189D+01  0.467644D+01  0.333562D+01  0.147608D+02
      4   0.642462D+01  0.255799D+01  0.833635D+01  0.531476D+01  0.815351D+01
      5   0.567159D+01  0.219962D+02  0.133489D+02  0.111349D+02  0.180547D+02
      6   0.596461D+01  0.287586D+01  0.793211D+01  0.745452D+01  0.103142D+02
               196           197           198           199           200 
      1   0.228489D+01 -0.165140D+01 -0.677622D+01  0.403866D+01 -0.344200D+01
      2  -0.124548D+02 -0.640634D+01 -0.207779D+02 -0.109205D+00 -0.299782D+01
      3   0.101699D+02  0.805774D+01  0.275541D+02 -0.392946D+01  0.643982D+01
      4   0.286571D+01  0.555911D+01  0.588231D+01 -0.121979D+02  0.154781D+02
      5   0.205701D+02  0.827834D+01  0.284405D+02  0.867724D+01 -0.777957D+01
      6   0.405875D+01  0.774556D+01  0.807148D+01 -0.693547D+01  0.931892D+01
               201           202           203           204           205 
      1   0.210857D+00 -0.200064D+01 -0.114371D+02  0.713542D+01 -0.113806D+01
      2  -0.201446D+01 -0.611647D+01  0.238070D+02 -0.534199D+01 -0.160935D+01
      3   0.180360D+01  0.811711D+01 -0.123699D+02 -0.179344D+01  0.274741D+01
      4  -0.533583D+01  0.192261D+02 -0.328249D+02  0.116769D+02 -0.149341D+01
      5   0.923007D+01 -0.956488D+01  0.153991D+02 -0.931484D+01  0.615793D+01
      6  -0.432808D+01  0.123750D+02 -0.290780D+02  0.164876D+02 -0.326299D+01
               206           207           208           209           210 
      1   0.387537D+01 -0.223063D+01  0.472285D+01  0.358146D+01 -0.596404D+01
      2  -0.796301D+00  0.154596D+00 -0.491154D+01 -0.243104D+01  0.469177D+01
      3  -0.307907D+01  0.207603D+01  0.188694D+00 -0.115042D+01  0.127228D+01
      4   0.384907D+01 -0.452464D+01  0.360019D+01  0.391140D+01 -0.104968D+01
      5  -0.453665D+01  0.560898D+01 -0.707925D+01 -0.158432D+01  0.107561D+02
      6   0.995633D+01 -0.575693D+01 -0.820054D+00 -0.391940D+00  0.258975D+00
               211           212           213           214           215 
      1   0.752842D+01  0.239187D+01  0.567350D+00 -0.129642D+02  0.138171D+01
      2  -0.540271D+01 -0.141025D+01  0.280158D+01  0.121904D+02  0.233863D+01
      3  -0.212571D+01 -0.981625D+00 -0.336893D+01  0.773787D+00 -0.372034D+01
      4   0.870690D+01  0.239552D+01 -0.722358D+01 -0.148879D+01 -0.866398D+01
      5  -0.457130D+01 -0.697161D+01  0.129039D+02  0.234807D+02  0.990063D+01
      6  -0.197761D+01 -0.222145D+01  0.500388D+01  0.561463D+00  0.461284D+01
               216           217           218           219           220 
      1   0.170715D+01  0.230418D+02 -0.133938D+02  0.128512D+01 -0.257785D+02
      2  -0.187730D+02 -0.686676D+01  0.299414D+01 -0.449646D+00  0.352385D+01
      3   0.170658D+02 -0.161751D+02  0.103996D+02 -0.835479D+00  0.222547D+02
      4   0.100623D+02 -0.193975D+02  0.219306D+02  0.164269D+01  0.411475D+02
      5  -0.471350D+02 -0.524089D+00  0.257636D+01  0.484182D+01  0.645548D+01
      6  -0.171151D+01  0.198864D+01 -0.198963D+01 -0.827984D+00 -0.427174D+01
               221           222           223           224           225 
      1   0.137143D+02  0.240188D+01  0.571727D+01  0.648550D+00  0.328166D+01
      2   0.105874D+02 -0.170419D+01 -0.173067D+01 -0.801004D+00 -0.148918D+01
      3  -0.243016D+02 -0.697690D+00 -0.398660D+01  0.152453D+00 -0.179248D+01
      4  -0.546512D+02 -0.161392D+01  0.413270D+00  0.112360D+01 -0.481556D+01
      5  -0.287239D+01 -0.822370D+01  0.915946D+01 -0.529780D+01 -0.282477D+01
      6   0.666569D+01  0.566509D+01 -0.304550D+01  0.512059D+01  0.206757D+00
               226           227           228           229           230 
      1   0.580245D+02  0.156746D+02  0.161352D+02  0.324276D+02  0.154051D+02
      2  -0.282090D+02 -0.773197D+01 -0.788306D+01 -0.154245D+02 -0.381269D+01
      3  -0.298155D+02 -0.794260D+01 -0.825213D+01 -0.170031D+02 -0.115924D+02
      4   0.183679D+02  0.156708D+02  0.637866D+01  0.266009D+02  0.134953D+02
      5   0.169617D+02  0.579058D+01  0.133435D+02  0.929448D+01  0.702932D+01
      6   0.822829D+00 -0.161706D+00  0.232420D+00  0.830905D+00  0.177352D+01
               231           232           233           234 
      1   0.742787D+01  0.350344D+02  0.736041D+01  0.128299D+02
      2  -0.279608D+01 -0.176980D+02 -0.317465D+01 -0.952971D+01
      3  -0.463178D+01 -0.173364D+02 -0.418576D+01 -0.330015D+01
      4   0.814882D+01  0.110316D+02  0.107151D+02  0.916043D+01
      5   0.116935D+02  0.206644D+02  0.887723D+01  0.142889D+02
      6   0.224286D+01  0.188960D+01  0.162409D+01  0.163218D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x         -0.560239D-01     -0.142398D+00     -0.474990D+00
   y          0.120008D+00      0.305031D+00      0.101747D+01
   z          0.316408D-01      0.804228D-01      0.268262D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.139877D+03      0.207276D+02      0.230626D+02
   yx        -0.460708D+01     -0.682699D+00     -0.759606D+00
   yy         0.107772D+03      0.159701D+02      0.177692D+02
   zx        -0.274845D+01     -0.407278D+00     -0.453158D+00
   zy         0.131010D+01      0.194137D+00      0.216007D+00
   zz         0.963721D+02      0.142809D+02      0.158896D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119573D+03      0.177189D+02      0.197149D+02
   aniso      0.434405D+02      0.643722D+01      0.716237D+01
   xx         0.146858D+03      0.217621D+02      0.242136D+02
   yx        -0.518417D+01     -0.768215D+00     -0.854755D+00
   yy         0.111723D+03      0.165557D+02      0.184207D+02
   zx        -0.291806D+01     -0.432413D+00     -0.481124D+00
   zy         0.131278D+01      0.194535D+00      0.216449D+00
   zz         0.100137D+03      0.148388D+02      0.165104D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.09028938          1.55408846         -1.55480277
     6          1.51912016          1.88038295          0.78026374
     6         -2.26505750         -0.19089875         -1.36921840
     6         -3.22307634         -0.94888542          0.83569022
     6         -5.47790768         -2.65023376          1.02036778
     6         -2.08081433         -0.05693366          3.29737629
     6          0.77968882          0.38819100          3.12130542
     6          2.63006188          0.63696785         -1.54585729
     1         -0.42767453          3.22683563         -2.69382575
     1          2.19215574          3.77914091          1.14537760
     1         -3.11826062         -0.83922497         -3.12003460
     1         -6.23286869         -3.12015895         -0.83842673
     1         -6.98334267         -1.75791784          2.12456048
     1         -5.00164234         -4.41184845          1.99526994
     1         -2.48106943         -1.43267109          4.78652495
     1         -3.03233449          1.69196905          3.87473636
     1          1.73023415         -1.44288003          3.13811791
     1          1.43155457          1.38503185          4.80583392
     6          3.18573896         -2.16091869         -1.56483670
     6          4.50580920          2.18636699         -3.04430493
     1          1.69282199         -3.26196980         -0.67688417
     1          4.95967622         -2.56628422         -0.58485758
     1          3.37844460         -2.83289166         -3.50857778
     1          4.03878456          4.19455013         -2.98633225
     1          4.53629951          1.59956664         -5.02558591
     1          6.41757635          1.95998354         -2.29178830

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.136168D+00      0.346105D+00      0.115448D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.136168D+00      0.346105D+00      0.115448D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.114674D+03      0.169929D+02      0.189071D+02
   aniso      0.402265D+02      0.596095D+01      0.663245D+01
   xx         0.125761D+03      0.186358D+02      0.207351D+02
   yx         0.120306D+02      0.178276D+01      0.198358D+01
   yy         0.101266D+03      0.150061D+02      0.166965D+02
   zx        -0.149505D+02     -0.221543D+01     -0.246500D+01
   zy        -0.413543D+01     -0.612808D+00     -0.681841D+00
   zz         0.116994D+03      0.173367D+02      0.192897D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.119573D+03      0.177189D+02      0.197149D+02
   aniso      0.434405D+02      0.643722D+01      0.716237D+01
   xx         0.131522D+03      0.194896D+02      0.216851D+02
   yx         0.127413D+02      0.188806D+01      0.210075D+01
   yy         0.105296D+03      0.156032D+02      0.173609D+02
   zx        -0.164164D+02     -0.243266D+01     -0.270670D+01
   zy        -0.460071D+01     -0.681756D+00     -0.758555D+00
   zz         0.121900D+03      0.180638D+02      0.200987D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K08-26-01\Freq\RB3LYP\Gen\C10H16\PIERPA\16-Jul-2021\0\\#P
  B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSym
 m,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq\\ROA calcula
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 THE ATTENTION SPAN OF A COMPUTER IS AS LONG
 AS ITS EXTENSION CORD.
 Job cpu time:       0 days  4 hours 45 minutes 56.9 seconds.
 Elapsed time:       0 days  0 hours 35 minutes 59.9 seconds.
 File lengths (MBytes):  RWF=    292 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:46:06 2021.
